data_19921 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19921 _Entry.Title ; hIFABP-oleate complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-17 _Entry.Accession_date 2014-04-17 _Entry.Last_release_date 2015-04-20 _Entry.Original_release_date 2015-04-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rahul Patil . . . 19921 2 Biswaranjan Mohanty . . . 19921 3 Stephen Headey . . . 19921 4 Christopher Porter . . . 19921 5 Martin Scanlon . . . 19921 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19921 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein-ligand complex' . 19921 'human IFABP' . 19921 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19921 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 19921 '15N chemical shifts' 158 19921 '1H chemical shifts' 938 19921 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-20 . original BMRB . 19921 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MO5 'BMRB Entry Tracking System' 19921 stop_ save_ ############### # Citations # ############### save_hIFABP_oleate_complex _Citation.Sf_category citations _Citation.Sf_framecode hIFABP_oleate_complex _Citation.Entry_ID 19921 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of oleate bound human intestinal fatty acid binding protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rahul Patil . . . 19921 1 2 Biswaranjan Mohanty . . . 19921 1 3 Stephen Headey . . . 19921 1 4 Christopher Porter . . . 19921 1 5 Martin Scanlon . . . 19921 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19921 _Assembly.ID 1 _Assembly.Name 'hIFABP-oleate complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hIFABP 1 $hIFABP A . yes native no no . . . 19921 1 2 'OLEIC ACID' 2 $entity_OLA B . yes native no no . . . 19921 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hIFABP _Entity.Sf_category entity _Entity.Sf_framecode hIFABP _Entity.Entry_ID 19921 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hIFABP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AHHHHHHVGTQAFDSTWKVD RSENYDKFMEKMGVNIVKRK LAAHDNLKLTITQEGNKFTV KESSAFRNIEVVFELGVTFN YNLADGTELRGTWSLEGNKL IGKFKRTDNGNELNTVREII GDELVQTYVYEGVEAKRIFK KD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16383.575 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19727 . HIFABP . . . . . 92.25 131 100.00 100.00 9.81e-88 . . . . 19921 1 2 no PDB 1KZW . "Solution Structure Of Human Intestinal Fatty Acid Binding Protein" . . . . . 91.55 131 100.00 100.00 5.51e-87 . . . . 19921 1 3 no PDB 1KZX . "Solution Structure Of Human Intestinal Fatty Acid Binding Protein With A Naturally-Occurring Single Amino Acid Substitution (A5" . . . . . 92.25 131 99.24 99.24 5.45e-87 . . . . 19921 1 4 no PDB 2MJI . Hifabp_ketorolac_complex . . . . . 92.25 131 100.00 100.00 9.81e-88 . . . . 19921 1 5 no PDB 2MO5 . "Hifabp-oleate Complex" . . . . . 100.00 142 100.00 100.00 1.38e-97 . . . . 19921 1 6 no PDB 3AKM . "X-Ray Structure Of Ifabp From Human And Rat With Bound Fluorescent Fatty Acid Analogue" . . . . . 92.25 131 100.00 100.00 9.81e-88 . . . . 19921 1 7 no PDB 3IFB . "Nmr Study Of Human Intestinal Fatty Acid Binding Protein" . . . . . 92.25 131 100.00 100.00 9.81e-88 . . . . 19921 1 8 no GB AAA52417 . "fatty acid binding protein [Homo sapiens]" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 9 no GB AAH69466 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 10 no GB AAH69617 . "FABP2 protein [Homo sapiens]" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 11 no GB AAH69625 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 12 no GB AAH69637 . "Fatty acid binding protein 2, intestinal [Homo sapiens]" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 13 no REF NP_000125 . "fatty acid-binding protein, intestinal [Homo sapiens]" . . . . . 92.25 132 99.24 99.24 4.19e-87 . . . . 19921 1 14 no REF XP_001149448 . "PREDICTED: fatty acid-binding protein, intestinal [Pan troglodytes]" . . . . . 92.25 132 97.71 99.24 1.69e-86 . . . . 19921 1 15 no REF XP_002815138 . "PREDICTED: fatty acid-binding protein, intestinal [Pongo abelii]" . . . . . 92.25 132 97.71 97.71 3.41e-85 . . . . 19921 1 16 no REF XP_003830103 . "PREDICTED: fatty acid-binding protein, intestinal [Pan paniscus]" . . . . . 92.25 132 97.71 99.24 1.69e-86 . . . . 19921 1 17 no REF XP_004040374 . "PREDICTED: fatty acid-binding protein, intestinal [Gorilla gorilla gorilla]" . . . . . 92.25 132 99.24 99.24 6.28e-87 . . . . 19921 1 18 no SP P12104 . "RecName: Full=Fatty acid-binding protein, intestinal; AltName: Full=Fatty acid-binding protein 2; AltName: Full=Intestinal-type" . . . . . 92.25 132 100.00 100.00 8.42e-88 . . . . 19921 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -10 ALA . 19921 1 2 -9 HIS . 19921 1 3 -8 HIS . 19921 1 4 -7 HIS . 19921 1 5 -6 HIS . 19921 1 6 -5 HIS . 19921 1 7 -4 HIS . 19921 1 8 -3 VAL . 19921 1 9 -2 GLY . 19921 1 10 -1 THR . 19921 1 11 0 GLN . 19921 1 12 1 ALA . 19921 1 13 2 PHE . 19921 1 14 3 ASP . 19921 1 15 4 SER . 19921 1 16 5 THR . 19921 1 17 6 TRP . 19921 1 18 7 LYS . 19921 1 19 8 VAL . 19921 1 20 9 ASP . 19921 1 21 10 ARG . 19921 1 22 11 SER . 19921 1 23 12 GLU . 19921 1 24 13 ASN . 19921 1 25 14 TYR . 19921 1 26 15 ASP . 19921 1 27 16 LYS . 19921 1 28 17 PHE . 19921 1 29 18 MET . 19921 1 30 19 GLU . 19921 1 31 20 LYS . 19921 1 32 21 MET . 19921 1 33 22 GLY . 19921 1 34 23 VAL . 19921 1 35 24 ASN . 19921 1 36 25 ILE . 19921 1 37 26 VAL . 19921 1 38 27 LYS . 19921 1 39 28 ARG . 19921 1 40 29 LYS . 19921 1 41 30 LEU . 19921 1 42 31 ALA . 19921 1 43 32 ALA . 19921 1 44 33 HIS . 19921 1 45 34 ASP . 19921 1 46 35 ASN . 19921 1 47 36 LEU . 19921 1 48 37 LYS . 19921 1 49 38 LEU . 19921 1 50 39 THR . 19921 1 51 40 ILE . 19921 1 52 41 THR . 19921 1 53 42 GLN . 19921 1 54 43 GLU . 19921 1 55 44 GLY . 19921 1 56 45 ASN . 19921 1 57 46 LYS . 19921 1 58 47 PHE . 19921 1 59 48 THR . 19921 1 60 49 VAL . 19921 1 61 50 LYS . 19921 1 62 51 GLU . 19921 1 63 52 SER . 19921 1 64 53 SER . 19921 1 65 54 ALA . 19921 1 66 55 PHE . 19921 1 67 56 ARG . 19921 1 68 57 ASN . 19921 1 69 58 ILE . 19921 1 70 59 GLU . 19921 1 71 60 VAL . 19921 1 72 61 VAL . 19921 1 73 62 PHE . 19921 1 74 63 GLU . 19921 1 75 64 LEU . 19921 1 76 65 GLY . 19921 1 77 66 VAL . 19921 1 78 67 THR . 19921 1 79 68 PHE . 19921 1 80 69 ASN . 19921 1 81 70 TYR . 19921 1 82 71 ASN . 19921 1 83 72 LEU . 19921 1 84 73 ALA . 19921 1 85 74 ASP . 19921 1 86 75 GLY . 19921 1 87 76 THR . 19921 1 88 77 GLU . 19921 1 89 78 LEU . 19921 1 90 79 ARG . 19921 1 91 80 GLY . 19921 1 92 81 THR . 19921 1 93 82 TRP . 19921 1 94 83 SER . 19921 1 95 84 LEU . 19921 1 96 85 GLU . 19921 1 97 86 GLY . 19921 1 98 87 ASN . 19921 1 99 88 LYS . 19921 1 100 89 LEU . 19921 1 101 90 ILE . 19921 1 102 91 GLY . 19921 1 103 92 LYS . 19921 1 104 93 PHE . 19921 1 105 94 LYS . 19921 1 106 95 ARG . 19921 1 107 96 THR . 19921 1 108 97 ASP . 19921 1 109 98 ASN . 19921 1 110 99 GLY . 19921 1 111 100 ASN . 19921 1 112 101 GLU . 19921 1 113 102 LEU . 19921 1 114 103 ASN . 19921 1 115 104 THR . 19921 1 116 105 VAL . 19921 1 117 106 ARG . 19921 1 118 107 GLU . 19921 1 119 108 ILE . 19921 1 120 109 ILE . 19921 1 121 110 GLY . 19921 1 122 111 ASP . 19921 1 123 112 GLU . 19921 1 124 113 LEU . 19921 1 125 114 VAL . 19921 1 126 115 GLN . 19921 1 127 116 THR . 19921 1 128 117 TYR . 19921 1 129 118 VAL . 19921 1 130 119 TYR . 19921 1 131 120 GLU . 19921 1 132 121 GLY . 19921 1 133 122 VAL . 19921 1 134 123 GLU . 19921 1 135 124 ALA . 19921 1 136 125 LYS . 19921 1 137 126 ARG . 19921 1 138 127 ILE . 19921 1 139 128 PHE . 19921 1 140 129 LYS . 19921 1 141 130 LYS . 19921 1 142 131 ASP . 19921 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 19921 1 . HIS 2 2 19921 1 . HIS 3 3 19921 1 . HIS 4 4 19921 1 . HIS 5 5 19921 1 . HIS 6 6 19921 1 . HIS 7 7 19921 1 . VAL 8 8 19921 1 . GLY 9 9 19921 1 . THR 10 10 19921 1 . GLN 11 11 19921 1 . ALA 12 12 19921 1 . PHE 13 13 19921 1 . ASP 14 14 19921 1 . SER 15 15 19921 1 . THR 16 16 19921 1 . TRP 17 17 19921 1 . LYS 18 18 19921 1 . VAL 19 19 19921 1 . ASP 20 20 19921 1 . ARG 21 21 19921 1 . SER 22 22 19921 1 . GLU 23 23 19921 1 . ASN 24 24 19921 1 . TYR 25 25 19921 1 . ASP 26 26 19921 1 . LYS 27 27 19921 1 . PHE 28 28 19921 1 . MET 29 29 19921 1 . GLU 30 30 19921 1 . LYS 31 31 19921 1 . MET 32 32 19921 1 . GLY 33 33 19921 1 . VAL 34 34 19921 1 . ASN 35 35 19921 1 . ILE 36 36 19921 1 . VAL 37 37 19921 1 . LYS 38 38 19921 1 . ARG 39 39 19921 1 . LYS 40 40 19921 1 . LEU 41 41 19921 1 . ALA 42 42 19921 1 . ALA 43 43 19921 1 . HIS 44 44 19921 1 . ASP 45 45 19921 1 . ASN 46 46 19921 1 . LEU 47 47 19921 1 . LYS 48 48 19921 1 . LEU 49 49 19921 1 . THR 50 50 19921 1 . ILE 51 51 19921 1 . THR 52 52 19921 1 . GLN 53 53 19921 1 . GLU 54 54 19921 1 . GLY 55 55 19921 1 . ASN 56 56 19921 1 . LYS 57 57 19921 1 . PHE 58 58 19921 1 . THR 59 59 19921 1 . VAL 60 60 19921 1 . LYS 61 61 19921 1 . GLU 62 62 19921 1 . SER 63 63 19921 1 . SER 64 64 19921 1 . ALA 65 65 19921 1 . PHE 66 66 19921 1 . ARG 67 67 19921 1 . ASN 68 68 19921 1 . ILE 69 69 19921 1 . GLU 70 70 19921 1 . VAL 71 71 19921 1 . VAL 72 72 19921 1 . PHE 73 73 19921 1 . GLU 74 74 19921 1 . LEU 75 75 19921 1 . GLY 76 76 19921 1 . VAL 77 77 19921 1 . THR 78 78 19921 1 . PHE 79 79 19921 1 . ASN 80 80 19921 1 . TYR 81 81 19921 1 . ASN 82 82 19921 1 . LEU 83 83 19921 1 . ALA 84 84 19921 1 . ASP 85 85 19921 1 . GLY 86 86 19921 1 . THR 87 87 19921 1 . GLU 88 88 19921 1 . LEU 89 89 19921 1 . ARG 90 90 19921 1 . GLY 91 91 19921 1 . THR 92 92 19921 1 . TRP 93 93 19921 1 . SER 94 94 19921 1 . LEU 95 95 19921 1 . GLU 96 96 19921 1 . GLY 97 97 19921 1 . ASN 98 98 19921 1 . LYS 99 99 19921 1 . LEU 100 100 19921 1 . ILE 101 101 19921 1 . GLY 102 102 19921 1 . LYS 103 103 19921 1 . PHE 104 104 19921 1 . LYS 105 105 19921 1 . ARG 106 106 19921 1 . THR 107 107 19921 1 . ASP 108 108 19921 1 . ASN 109 109 19921 1 . GLY 110 110 19921 1 . ASN 111 111 19921 1 . GLU 112 112 19921 1 . LEU 113 113 19921 1 . ASN 114 114 19921 1 . THR 115 115 19921 1 . VAL 116 116 19921 1 . ARG 117 117 19921 1 . GLU 118 118 19921 1 . ILE 119 119 19921 1 . ILE 120 120 19921 1 . GLY 121 121 19921 1 . ASP 122 122 19921 1 . GLU 123 123 19921 1 . LEU 124 124 19921 1 . VAL 125 125 19921 1 . GLN 126 126 19921 1 . THR 127 127 19921 1 . TYR 128 128 19921 1 . VAL 129 129 19921 1 . TYR 130 130 19921 1 . GLU 131 131 19921 1 . GLY 132 132 19921 1 . VAL 133 133 19921 1 . GLU 134 134 19921 1 . ALA 135 135 19921 1 . LYS 136 136 19921 1 . ARG 137 137 19921 1 . ILE 138 138 19921 1 . PHE 139 139 19921 1 . LYS 140 140 19921 1 . LYS 141 141 19921 1 . ASP 142 142 19921 1 stop_ save_ save_entity_OLA _Entity.Sf_category entity _Entity.Sf_framecode entity_OLA _Entity.Entry_ID 19921 _Entity.ID 2 _Entity.BMRB_code OLA _Entity.Name 'OLEIC ACID' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID OLA _Entity.Nonpolymer_comp_label $chem_comp_OLA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 282.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'OLEIC ACID' BMRB 19921 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'OLEIC ACID' BMRB 19921 2 OLA 'Three letter code' 19921 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 OLA $chem_comp_OLA 19921 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19921 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hIFABP . 469008 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 'DE3 codon plus' . . . . . . . . . . . 19921 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19921 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hIFABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'DE3 codon plus' . . . . 'pET-45b (+)' . . . 19921 1 2 2 $entity_OLA . 'obtained from a vendor' . . . . . . . . . . . . . . . . 19921 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_OLA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_OLA _Chem_comp.Entry_ID 19921 _Chem_comp.ID OLA _Chem_comp.Provenance PDB _Chem_comp.Name 'OLEIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code OLA _Chem_comp.PDB_code OLA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces OLI _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code OLA _Chem_comp.Number_atoms_all 54 _Chem_comp.Number_atoms_nh 20 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C18 H34 O2' _Chem_comp.Formula_weight 282.461 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1HMS _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCC=CCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 19921 OLA CCCCCCCCC=CCCCCCCCC(O)=O SMILES CACTVS 3.341 19921 OLA CCCCCCCC\C=C/CCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19921 OLA CCCCCCCC\C=C/CCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 19921 OLA InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- InChI InChI 1.03 19921 OLA O=C(O)CCCCCCC\C=C/CCCCCCCC SMILES ACDLabs 10.04 19921 OLA ZQPPMHVWECSIRJ-KTKRTIGZSA-N InChIKey InChI 1.03 19921 OLA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(9Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 19921 OLA '(Z)-octadec-9-enoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19921 OLA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 19.030 . 33.338 . 52.492 . 1.422 -0.175 -8.205 1 . 19921 OLA O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 19.014 . 34.416 . 51.910 . 0.409 -0.728 -8.561 2 . 19921 OLA O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 18.321 . 32.334 . 52.411 . 2.421 0.023 -9.080 3 . 19921 OLA C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 20.002 . 33.266 . 53.577 . 1.566 0.290 -6.779 4 . 19921 OLA C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 20.600 . 34.503 . 54.125 . 0.296 -0.056 -5.999 5 . 19921 OLA C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 21.803 . 34.275 . 55.060 . 0.441 0.416 -4.551 6 . 19921 OLA C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 22.341 . 35.602 . 55.561 . -0.827 0.070 -3.771 7 . 19921 OLA C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 23.569 . 35.534 . 56.400 . -0.682 0.543 -2.324 8 . 19921 OLA C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 23.537 . 34.531 . 57.514 . -1.951 0.196 -1.544 9 . 19921 OLA C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 22.693 . 35.032 . 58.687 . -1.806 0.669 -0.096 10 . 19921 OLA C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 22.642 . 34.052 . 59.804 . -3.056 0.328 0.672 11 . 19921 OLA C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . 21.721 . 34.138 . 60.860 . -2.973 -0.342 1.794 12 . 19921 OLA C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . 20.778 . 35.236 . 61.059 . -1.624 -0.636 2.398 13 . 19921 OLA C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . 19.336 . 34.993 . 60.903 . -1.604 -0.169 3.854 14 . 19921 OLA C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . 18.923 . 34.610 . 59.496 . -0.235 -0.467 4.467 15 . 19921 OLA C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . 17.506 . 34.084 . 59.484 . -0.215 0.000 5.924 16 . 19921 OLA C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . 16.731 . 34.508 . 58.278 . 1.154 -0.297 6.537 17 . 19921 OLA C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . 17.327 . 35.668 . 57.566 . 1.173 0.169 7.994 18 . 19921 OLA C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . 16.304 . 36.426 . 56.732 . 2.543 -0.128 8.607 19 . 19921 OLA C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . 16.728 . 37.892 . 56.648 . 2.562 0.338 10.064 20 . 19921 OLA HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 18.333 . 31.498 . 52.862 . 2.329 -0.275 -9.995 21 . 19921 OLA H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 19.546 . 32.693 . 54.418 . 1.718 1.369 -6.763 22 . 19921 OLA H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . 20.828 . 32.585 . 53.263 . 2.421 -0.204 -6.319 23 . 19921 OLA H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . 20.878 . 35.197 . 53.298 . 0.143 -1.135 -6.015 24 . 19921 OLA H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . 19.821 . 35.115 . 54.637 . -0.559 0.438 -6.459 25 . 19921 OLA H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 21.552 . 33.584 . 55.899 . 0.594 1.496 -4.536 26 . 19921 OLA H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 22.597 . 33.661 . 54.573 . 1.297 -0.077 -4.092 27 . 19921 OLA H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . 22.508 . 36.291 . 54.700 . -0.980 -1.009 -3.787 28 . 19921 OLA H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . 21.540 . 36.153 . 56.106 . -1.683 0.564 -4.231 29 . 19921 OLA H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 24.461 . 35.359 . 55.755 . -0.529 1.622 -2.308 30 . 19921 OLA H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 23.811 . 36.544 . 56.803 . 0.173 0.048 -1.864 31 . 19921 OLA H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . 23.190 . 33.533 . 57.156 . -2.104 -0.882 -1.559 32 . 19921 OLA H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . 24.565 . 34.248 . 57.840 . -2.807 0.691 -2.003 33 . 19921 OLA H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . 23.046 . 36.028 . 59.041 . -1.653 1.748 -0.080 34 . 19921 OLA H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . 21.667 . 35.315 . 58.353 . -0.950 0.175 0.363 35 . 19921 OLA H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 23.338 . 33.198 . 59.852 . -4.021 0.635 0.297 36 . 19921 OLA H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 21.739 . 33.296 . 61.572 . -3.871 -0.685 2.286 37 . 19921 OLA H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 20.956 . 35.679 . 62.066 . -0.852 -0.109 1.837 38 . 19921 OLA H112 H112 H112 2H11 . H . . N 0 . . . 0 no no . . . . 21.070 . 36.080 . 60.391 . -1.433 -1.708 2.357 39 . 19921 OLA H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 18.986 . 34.227 . 61.635 . -2.376 -0.696 4.415 40 . 19921 OLA H122 H122 H122 2H12 . H . . N 0 . . . 0 no no . . . . 18.750 . 35.873 . 61.256 . -1.795 0.903 3.894 41 . 19921 OLA H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 19.057 . 35.454 . 58.780 . 0.536 0.060 3.906 42 . 19921 OLA H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . 19.637 . 33.887 . 59.036 . -0.044 -1.539 4.427 43 . 19921 OLA H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . 17.493 . 32.974 . 59.593 . -0.987 -0.527 6.485 44 . 19921 OLA H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . 16.969 . 34.366 . 60.419 . -0.406 1.072 5.964 45 . 19921 OLA H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 16.585 . 33.649 . 57.581 . 1.925 0.229 5.976 46 . 19921 OLA H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . 15.667 . 34.712 . 58.544 . 1.344 -1.370 6.497 47 . 19921 OLA H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . 17.850 . 36.349 . 58.276 . 0.401 -0.357 8.555 48 . 19921 OLA H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . 18.198 . 35.353 . 56.945 . 0.983 1.241 8.034 49 . 19921 OLA H171 H171 H171 1H17 . H . . N 0 . . . 0 no no . . . . 16.150 . 35.968 . 55.726 . 3.314 0.398 8.046 50 . 19921 OLA H172 H172 H172 2H17 . H . . N 0 . . . 0 no no . . . . 15.265 . 36.304 . 57.117 . 2.733 -1.201 8.567 51 . 19921 OLA H181 H181 H181 1H18 . H . . N 0 . . . 0 no no . . . . 15.978 . 38.447 . 56.037 . 3.538 0.126 10.500 52 . 19921 OLA H182 H182 H182 2H18 . H . . N 0 . . . 0 no no . . . . 16.881 . 38.349 . 57.653 . 2.372 1.411 10.104 53 . 19921 OLA H183 H183 H183 3H18 . H . . N 0 . . . 0 no no . . . . 17.767 . 38.013 . 56.262 . 1.791 -0.188 10.625 54 . 19921 OLA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 19921 OLA 2 . SING C1 O2 no N 2 . 19921 OLA 3 . SING C1 C2 no N 3 . 19921 OLA 4 . SING O2 HO2 no N 4 . 19921 OLA 5 . SING C2 C3 no N 5 . 19921 OLA 6 . SING C2 H21 no N 6 . 19921 OLA 7 . SING C2 H22 no N 7 . 19921 OLA 8 . SING C3 C4 no N 8 . 19921 OLA 9 . SING C3 H31 no N 9 . 19921 OLA 10 . SING C3 H32 no N 10 . 19921 OLA 11 . SING C4 C5 no N 11 . 19921 OLA 12 . SING C4 H41 no N 12 . 19921 OLA 13 . SING C4 H42 no N 13 . 19921 OLA 14 . SING C5 C6 no N 14 . 19921 OLA 15 . SING C5 H51 no N 15 . 19921 OLA 16 . SING C5 H52 no N 16 . 19921 OLA 17 . SING C6 C7 no N 17 . 19921 OLA 18 . SING C6 H61 no N 18 . 19921 OLA 19 . SING C6 H62 no N 19 . 19921 OLA 20 . SING C7 C8 no N 20 . 19921 OLA 21 . SING C7 H71 no N 21 . 19921 OLA 22 . SING C7 H72 no N 22 . 19921 OLA 23 . SING C8 C9 no N 23 . 19921 OLA 24 . SING C8 H81 no N 24 . 19921 OLA 25 . SING C8 H82 no N 25 . 19921 OLA 26 . DOUB C9 C10 no Z 26 . 19921 OLA 27 . SING C9 H9 no N 27 . 19921 OLA 28 . SING C10 C11 no N 28 . 19921 OLA 29 . SING C10 H10 no N 29 . 19921 OLA 30 . SING C11 C12 no N 30 . 19921 OLA 31 . SING C11 H111 no N 31 . 19921 OLA 32 . SING C11 H112 no N 32 . 19921 OLA 33 . SING C12 C13 no N 33 . 19921 OLA 34 . SING C12 H121 no N 34 . 19921 OLA 35 . SING C12 H122 no N 35 . 19921 OLA 36 . SING C13 C14 no N 36 . 19921 OLA 37 . SING C13 H131 no N 37 . 19921 OLA 38 . SING C13 H132 no N 38 . 19921 OLA 39 . SING C14 C15 no N 39 . 19921 OLA 40 . SING C14 H141 no N 40 . 19921 OLA 41 . SING C14 H142 no N 41 . 19921 OLA 42 . SING C15 C16 no N 42 . 19921 OLA 43 . SING C15 H151 no N 43 . 19921 OLA 44 . SING C15 H152 no N 44 . 19921 OLA 45 . SING C16 C17 no N 45 . 19921 OLA 46 . SING C16 H161 no N 46 . 19921 OLA 47 . SING C16 H162 no N 47 . 19921 OLA 48 . SING C17 C18 no N 48 . 19921 OLA 49 . SING C17 H171 no N 49 . 19921 OLA 50 . SING C17 H172 no N 50 . 19921 OLA 51 . SING C18 H181 no N 51 . 19921 OLA 52 . SING C18 H182 no N 52 . 19921 OLA 53 . SING C18 H183 no N 53 . 19921 OLA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19921 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM 13C15N hIFABP + 2.5 mM Sodium Oleate with less 1% MeOH' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hIFABP '[U-100% 13C; U-100% 15N]' . . 1 $hIFABP . . 1 . . mM . . . . 19921 1 2 'OLEIC ACID' 'natural abundance' . . 2 $entity_OLA . . 2.5 . . mM . . . . 19921 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19921 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19921 1 5 methanol 'natural abundance' . . . . . . 0.5 . . % . . . . 19921 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19921 1 7 D20 'natural abundance' . . . . . . 10 . . % . . . . 19921 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19921 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C sodium oleate' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'OLEIC ACID' '[U-100% 13C]' . . 2 $entity_OLA . . 0.5 . . mM . . . . 19921 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19921 2 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19921 2 4 ethanol 'natural abundance' . . . . . . 0.5 . . mM . . . . 19921 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19921 2 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 19921 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19921 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM 15N hIFABP + 2.5 mM 13C Sodium Oleate with less 1% MeOH' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hIFABP '[U-100% 15N]' . . 1 $hIFABP . . 0.8 . . mM . . . . 19921 3 2 'OLEIC ACID' '[U-100% 13C]' . . 2 $entity_OLA . . 2 . . mM . . . . 19921 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19921 3 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19921 3 5 methanol 'natural abundance' . . . . . . 0.5 . . % . . . . 19921 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19921 3 7 D20 'natural abundance' . . . . . . 10 . . % . . . . 19921 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19921 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 19921 1 temperature 298 . K 19921 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19921 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19921 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19921 1 'data analysis' 19921 1 processing 19921 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19921 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19921 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19921 2 'chemical shift calculation' 19921 2 'data analysis' 19921 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19921 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19921 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19921 3 refinement 19921 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19921 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19921 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19921 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19921 1 2 spectrometer_2 Bruker Avance . 800 . . . 19921 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19921 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19921 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19921 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19921 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 10 '13C HMQC TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 12 '3D HcccoNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 13 '3D hCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19921 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19921 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19921 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19921 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19921 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19921 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aromatic' . . . 19921 1 2 '3D 1H-13C NOESY aliphatic' . . . 19921 1 3 '3D 1H-15N NOESY' . . . 19921 1 6 '3D HNCACB' . . . 19921 1 7 '3D HNCA' . . . 19921 1 8 '3D CBCA(CO)NH' . . . 19921 1 12 '3D HcccoNH' . . . 19921 1 13 '3D hCC(CO)NH' . . . 19921 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 19921 1 2 $CARA . . 19921 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 HIS HA H 1 4.53 0.025 . 1 . . . A -4 HIS HA . 19921 1 2 . 1 1 7 7 HIS HB2 H 1 2.95 0.025 . 1 . . . A -4 HIS HB2 . 19921 1 3 . 1 1 7 7 HIS HB3 H 1 2.99 0.025 . 1 . . . A -4 HIS HB3 . 19921 1 4 . 1 1 7 7 HIS CA C 13 55.27 0.400 . 1 . . . A -4 HIS CA . 19921 1 5 . 1 1 7 7 HIS CB C 13 29.68 0.400 . 1 . . . A -4 HIS CB . 19921 1 6 . 1 1 8 8 VAL H H 1 8.2 0.025 . 1 . . . A -3 VAL H . 19921 1 7 . 1 1 8 8 VAL HA H 1 4.03 0.025 . 1 . . . A -3 VAL HA . 19921 1 8 . 1 1 8 8 VAL HB H 1 1.94 0.025 . 1 . . . A -3 VAL HB . 19921 1 9 . 1 1 8 8 VAL HG11 H 1 0.82 0.025 . 2 . . . A -3 VAL HG11 . 19921 1 10 . 1 1 8 8 VAL HG12 H 1 0.82 0.025 . 2 . . . A -3 VAL HG12 . 19921 1 11 . 1 1 8 8 VAL HG13 H 1 0.82 0.025 . 2 . . . A -3 VAL HG13 . 19921 1 12 . 1 1 8 8 VAL HG21 H 1 0.82 0.025 . 2 . . . A -3 VAL HG21 . 19921 1 13 . 1 1 8 8 VAL HG22 H 1 0.82 0.025 . 2 . . . A -3 VAL HG22 . 19921 1 14 . 1 1 8 8 VAL HG23 H 1 0.82 0.025 . 2 . . . A -3 VAL HG23 . 19921 1 15 . 1 1 8 8 VAL CA C 13 61.94 0.400 . 1 . . . A -3 VAL CA . 19921 1 16 . 1 1 8 8 VAL CB C 13 32.66 0.400 . 1 . . . A -3 VAL CB . 19921 1 17 . 1 1 8 8 VAL CG1 C 13 20.1 0.400 . 2 . . . A -3 VAL CG1 . 19921 1 18 . 1 1 8 8 VAL CG2 C 13 20.14 0.400 . 2 . . . A -3 VAL CG2 . 19921 1 19 . 1 1 8 8 VAL N N 15 120.79 0.400 . 1 . . . A -3 VAL N . 19921 1 20 . 1 1 9 9 GLY H H 1 8.45 0.025 . 1 . . . A -2 GLY H . 19921 1 21 . 1 1 9 9 GLY HA2 H 1 3.93 0.025 . 1 . . . A -2 GLY HA2 . 19921 1 22 . 1 1 9 9 GLY HA3 H 1 3.99 0.025 . 1 . . . A -2 GLY HA3 . 19921 1 23 . 1 1 9 9 GLY CA C 13 44.97 0.400 . 1 . . . A -2 GLY CA . 19921 1 24 . 1 1 9 9 GLY N N 15 110.93 0.400 . 1 . . . A -2 GLY N . 19921 1 25 . 1 1 10 10 THR H H 1 8.06 0.025 . 1 . . . A -1 THR H . 19921 1 26 . 1 1 10 10 THR HA H 1 4.26 0.025 . 1 . . . A -1 THR HA . 19921 1 27 . 1 1 10 10 THR HB H 1 4.22 0.025 . 1 . . . A -1 THR HB . 19921 1 28 . 1 1 10 10 THR HG21 H 1 1.14 0.025 . 1 . . . A -1 THR HG21 . 19921 1 29 . 1 1 10 10 THR HG22 H 1 1.14 0.025 . 1 . . . A -1 THR HG22 . 19921 1 30 . 1 1 10 10 THR HG23 H 1 1.14 0.025 . 1 . . . A -1 THR HG23 . 19921 1 31 . 1 1 10 10 THR CA C 13 61.69 0.400 . 1 . . . A -1 THR CA . 19921 1 32 . 1 1 10 10 THR CB C 13 69.11 0.400 . 1 . . . A -1 THR CB . 19921 1 33 . 1 1 10 10 THR CG2 C 13 21.72 0.400 . 1 . . . A -1 THR CG2 . 19921 1 34 . 1 1 10 10 THR N N 15 111.34 0.400 . 1 . . . A -1 THR N . 19921 1 35 . 1 1 11 11 GLN H H 1 8.38 0.025 . 1 . . . A 0 GLN H . 19921 1 36 . 1 1 11 11 GLN HA H 1 4.24 0.025 . 1 . . . A 0 GLN HA . 19921 1 37 . 1 1 11 11 GLN HB2 H 1 1.95 0.025 . 1 . . . A 0 GLN HB2 . 19921 1 38 . 1 1 11 11 GLN HB3 H 1 2.07 0.025 . 1 . . . A 0 GLN HB3 . 19921 1 39 . 1 1 11 11 GLN HG2 H 1 2.18 0.025 . 1 . . . A 0 GLN HG2 . 19921 1 40 . 1 1 11 11 GLN HG3 H 1 2.2 0.025 . 1 . . . A 0 GLN HG3 . 19921 1 41 . 1 1 11 11 GLN HE21 H 1 7.63 0.025 . 1 . . . A 0 GLN HE21 . 19921 1 42 . 1 1 11 11 GLN HE22 H 1 6.75 0.025 . 1 . . . A 0 GLN HE22 . 19921 1 43 . 1 1 11 11 GLN CA C 13 55.61 0.400 . 1 . . . A 0 GLN CA . 19921 1 44 . 1 1 11 11 GLN CB C 13 28.29 0.400 . 1 . . . A 0 GLN CB . 19921 1 45 . 1 1 11 11 GLN CG C 13 34.06 0.400 . 1 . . . A 0 GLN CG . 19921 1 46 . 1 1 11 11 GLN N N 15 120.38 0.400 . 1 . . . A 0 GLN N . 19921 1 47 . 1 1 11 11 GLN NE2 N 15 111.41 0.400 . 1 . . . A 0 GLN NE2 . 19921 1 48 . 1 1 12 12 ALA H H 1 8.2 0.025 . 1 . . . A 1 ALA H . 19921 1 49 . 1 1 12 12 ALA HA H 1 3.96 0.025 . 1 . . . A 1 ALA HA . 19921 1 50 . 1 1 12 12 ALA HB1 H 1 1.06 0.025 . 1 . . . A 1 ALA HB1 . 19921 1 51 . 1 1 12 12 ALA HB2 H 1 1.06 0.025 . 1 . . . A 1 ALA HB2 . 19921 1 52 . 1 1 12 12 ALA HB3 H 1 1.06 0.025 . 1 . . . A 1 ALA HB3 . 19921 1 53 . 1 1 12 12 ALA CA C 13 53.59 0.400 . 1 . . . A 1 ALA CA . 19921 1 54 . 1 1 12 12 ALA CB C 13 18.97 0.400 . 1 . . . A 1 ALA CB . 19921 1 55 . 1 1 12 12 ALA N N 15 121.24 0.400 . 1 . . . A 1 ALA N . 19921 1 56 . 1 1 13 13 PHE H H 1 8.27 0.025 . 1 . . . A 2 PHE H . 19921 1 57 . 1 1 13 13 PHE HA H 1 4.37 0.025 . 1 . . . A 2 PHE HA . 19921 1 58 . 1 1 13 13 PHE HB2 H 1 3.04 0.025 . 1 . . . A 2 PHE HB2 . 19921 1 59 . 1 1 13 13 PHE HB3 H 1 3.04 0.025 . 1 . . . A 2 PHE HB3 . 19921 1 60 . 1 1 13 13 PHE HD1 H 1 6.93 0.025 . 1 . . . A 2 PHE HD1 . 19921 1 61 . 1 1 13 13 PHE HD2 H 1 6.93 0.025 . 1 . . . A 2 PHE HD2 . 19921 1 62 . 1 1 13 13 PHE HE1 H 1 6.77 0.025 . 1 . . . A 2 PHE HE1 . 19921 1 63 . 1 1 13 13 PHE HE2 H 1 6.77 0.025 . 1 . . . A 2 PHE HE2 . 19921 1 64 . 1 1 13 13 PHE CA C 13 59.05 0.400 . 1 . . . A 2 PHE CA . 19921 1 65 . 1 1 13 13 PHE CB C 13 38.98 0.400 . 1 . . . A 2 PHE CB . 19921 1 66 . 1 1 13 13 PHE CD1 C 13 130.77 0.400 . 1 . . . A 2 PHE CD1 . 19921 1 67 . 1 1 13 13 PHE CD2 C 13 130.77 0.400 . 1 . . . A 2 PHE CD2 . 19921 1 68 . 1 1 13 13 PHE CE1 C 13 130.69 0.400 . 1 . . . A 2 PHE CE1 . 19921 1 69 . 1 1 13 13 PHE CE2 C 13 130.69 0.400 . 1 . . . A 2 PHE CE2 . 19921 1 70 . 1 1 13 13 PHE N N 15 111.16 0.400 . 1 . . . A 2 PHE N . 19921 1 71 . 1 1 14 14 ASP H H 1 7.52 0.025 . 1 . . . A 3 ASP H . 19921 1 72 . 1 1 14 14 ASP HA H 1 4.81 0.025 . 1 . . . A 3 ASP HA . 19921 1 73 . 1 1 14 14 ASP HB2 H 1 2.57 0.025 . 1 . . . A 3 ASP HB2 . 19921 1 74 . 1 1 14 14 ASP HB3 H 1 2.72 0.025 . 1 . . . A 3 ASP HB3 . 19921 1 75 . 1 1 14 14 ASP CA C 13 54.35 0.400 . 1 . . . A 3 ASP CA . 19921 1 76 . 1 1 14 14 ASP CB C 13 39.09 0.400 . 1 . . . A 3 ASP CB . 19921 1 77 . 1 1 14 14 ASP N N 15 117.4 0.400 . 1 . . . A 3 ASP N . 19921 1 78 . 1 1 15 15 SER H H 1 8.19 0.025 . 1 . . . A 4 SER H . 19921 1 79 . 1 1 15 15 SER HA H 1 4.13 0.025 . 1 . . . A 4 SER HA . 19921 1 80 . 1 1 15 15 SER HB2 H 1 2.29 0.025 . 1 . . . A 4 SER HB2 . 19921 1 81 . 1 1 15 15 SER HB3 H 1 3.13 0.025 . 1 . . . A 4 SER HB3 . 19921 1 82 . 1 1 15 15 SER CA C 13 59.05 0.400 . 1 . . . A 4 SER CA . 19921 1 83 . 1 1 15 15 SER CB C 13 64.9 0.400 . 1 . . . A 4 SER CB . 19921 1 84 . 1 1 15 15 SER N N 15 119.7 0.400 . 1 . . . A 4 SER N . 19921 1 85 . 1 1 16 16 THR H H 1 8.02 0.025 . 1 . . . A 5 THR H . 19921 1 86 . 1 1 16 16 THR HA H 1 5.03 0.025 . 1 . . . A 5 THR HA . 19921 1 87 . 1 1 16 16 THR HB H 1 3.89 0.025 . 1 . . . A 5 THR HB . 19921 1 88 . 1 1 16 16 THR HG21 H 1 1.1 0.025 . 1 . . . A 5 THR HG21 . 19921 1 89 . 1 1 16 16 THR HG22 H 1 1.1 0.025 . 1 . . . A 5 THR HG22 . 19921 1 90 . 1 1 16 16 THR HG23 H 1 1.1 0.025 . 1 . . . A 5 THR HG23 . 19921 1 91 . 1 1 16 16 THR CA C 13 63.03 0.400 . 1 . . . A 5 THR CA . 19921 1 92 . 1 1 16 16 THR CB C 13 68.85 0.400 . 1 . . . A 5 THR CB . 19921 1 93 . 1 1 16 16 THR CG2 C 13 21.66 0.400 . 1 . . . A 5 THR CG2 . 19921 1 94 . 1 1 16 16 THR N N 15 114.6 0.400 . 1 . . . A 5 THR N . 19921 1 95 . 1 1 17 17 TRP H H 1 9.46 0.025 . 1 . . . A 6 TRP H . 19921 1 96 . 1 1 17 17 TRP HA H 1 5.18 0.025 . 1 . . . A 6 TRP HA . 19921 1 97 . 1 1 17 17 TRP HB2 H 1 3.04 0.025 . 1 . . . A 6 TRP HB2 . 19921 1 98 . 1 1 17 17 TRP HB3 H 1 2.87 0.025 . 1 . . . A 6 TRP HB3 . 19921 1 99 . 1 1 17 17 TRP HD1 H 1 6.76 0.025 . 1 . . . A 6 TRP HD1 . 19921 1 100 . 1 1 17 17 TRP HE1 H 1 9.83 0.025 . 1 . . . A 6 TRP HE1 . 19921 1 101 . 1 1 17 17 TRP HE3 H 1 7.04 0.025 . 1 . . . A 6 TRP HE3 . 19921 1 102 . 1 1 17 17 TRP HZ2 H 1 7.27 0.025 . 1 . . . A 6 TRP HZ2 . 19921 1 103 . 1 1 17 17 TRP HZ3 H 1 7.17 0.025 . 1 . . . A 6 TRP HZ3 . 19921 1 104 . 1 1 17 17 TRP HH2 H 1 6.79 0.025 . 1 . . . A 6 TRP HH2 . 19921 1 105 . 1 1 17 17 TRP CA C 13 54.83 0.400 . 1 . . . A 6 TRP CA . 19921 1 106 . 1 1 17 17 TRP CB C 13 31.9 0.400 . 1 . . . A 6 TRP CB . 19921 1 107 . 1 1 17 17 TRP CD1 C 13 127.03 0.400 . 1 . . . A 6 TRP CD1 . 19921 1 108 . 1 1 17 17 TRP CE3 C 13 119.6 0.400 . 1 . . . A 6 TRP CE3 . 19921 1 109 . 1 1 17 17 TRP CZ2 C 13 114.04 0.400 . 1 . . . A 6 TRP CZ2 . 19921 1 110 . 1 1 17 17 TRP CZ3 C 13 123.18 0.400 . 1 . . . A 6 TRP CZ3 . 19921 1 111 . 1 1 17 17 TRP CH2 C 13 124.27 0.400 . 1 . . . A 6 TRP CH2 . 19921 1 112 . 1 1 17 17 TRP N N 15 127.38 0.400 . 1 . . . A 6 TRP N . 19921 1 113 . 1 1 17 17 TRP NE1 N 15 125.45 0.400 . 1 . . . A 6 TRP NE1 . 19921 1 114 . 1 1 18 18 LYS H H 1 9.88 0.025 . 1 . . . A 7 LYS H . 19921 1 115 . 1 1 18 18 LYS HA H 1 5.38 0.025 . 1 . . . A 7 LYS HA . 19921 1 116 . 1 1 18 18 LYS HB2 H 1 1.75 0.025 . 1 . . . A 7 LYS HB2 . 19921 1 117 . 1 1 18 18 LYS HB3 H 1 1.82 0.025 . 1 . . . A 7 LYS HB3 . 19921 1 118 . 1 1 18 18 LYS HG2 H 1 1.41 0.025 . 1 . . . A 7 LYS HG2 . 19921 1 119 . 1 1 18 18 LYS HG3 H 1 1.41 0.025 . 1 . . . A 7 LYS HG3 . 19921 1 120 . 1 1 18 18 LYS HD2 H 1 1.59 0.025 . 1 . . . A 7 LYS HD2 . 19921 1 121 . 1 1 18 18 LYS HD3 H 1 1.59 0.025 . 1 . . . A 7 LYS HD3 . 19921 1 122 . 1 1 18 18 LYS CA C 13 54.16 0.400 . 1 . . . A 7 LYS CA . 19921 1 123 . 1 1 18 18 LYS CB C 13 35.59 0.400 . 1 . . . A 7 LYS CB . 19921 1 124 . 1 1 18 18 LYS CG C 13 24.43 0.400 . 1 . . . A 7 LYS CG . 19921 1 125 . 1 1 18 18 LYS CD C 13 29.34 0.400 . 1 . . . A 7 LYS CD . 19921 1 126 . 1 1 18 18 LYS N N 15 121.79 0.400 . 1 . . . A 7 LYS N . 19921 1 127 . 1 1 19 19 VAL H H 1 8.78 0.025 . 1 . . . A 8 VAL H . 19921 1 128 . 1 1 19 19 VAL HA H 1 3.25 0.025 . 1 . . . A 8 VAL HA . 19921 1 129 . 1 1 19 19 VAL HB H 1 1.66 0.025 . 1 . . . A 8 VAL HB . 19921 1 130 . 1 1 19 19 VAL HG11 H 1 0.16 0.025 . 2 . . . A 8 VAL HG11 . 19921 1 131 . 1 1 19 19 VAL HG12 H 1 0.16 0.025 . 2 . . . A 8 VAL HG12 . 19921 1 132 . 1 1 19 19 VAL HG13 H 1 0.16 0.025 . 2 . . . A 8 VAL HG13 . 19921 1 133 . 1 1 19 19 VAL HG21 H 1 0.84 0.025 . 2 . . . A 8 VAL HG21 . 19921 1 134 . 1 1 19 19 VAL HG22 H 1 0.84 0.025 . 2 . . . A 8 VAL HG22 . 19921 1 135 . 1 1 19 19 VAL HG23 H 1 0.84 0.025 . 2 . . . A 8 VAL HG23 . 19921 1 136 . 1 1 19 19 VAL CA C 13 64.1 0.400 . 1 . . . A 8 VAL CA . 19921 1 137 . 1 1 19 19 VAL CB C 13 31.27 0.400 . 1 . . . A 8 VAL CB . 19921 1 138 . 1 1 19 19 VAL CG1 C 13 21.92 0.400 . 2 . . . A 8 VAL CG1 . 19921 1 139 . 1 1 19 19 VAL CG2 C 13 19.76 0.400 . 2 . . . A 8 VAL CG2 . 19921 1 140 . 1 1 19 19 VAL N N 15 126.78 0.400 . 1 . . . A 8 VAL N . 19921 1 141 . 1 1 20 20 ASP H H 1 9.7 0.025 . 1 . . . A 9 ASP H . 19921 1 142 . 1 1 20 20 ASP HA H 1 4.86 0.025 . 1 . . . A 9 ASP HA . 19921 1 143 . 1 1 20 20 ASP HB2 H 1 2.49 0.025 . 1 . . . A 9 ASP HB2 . 19921 1 144 . 1 1 20 20 ASP HB3 H 1 2.39 0.025 . 1 . . . A 9 ASP HB3 . 19921 1 145 . 1 1 20 20 ASP CA C 13 55.11 0.400 . 1 . . . A 9 ASP CA . 19921 1 146 . 1 1 20 20 ASP CB C 13 46.43 0.400 . 1 . . . A 9 ASP CB . 19921 1 147 . 1 1 20 20 ASP N N 15 126.35 0.400 . 1 . . . A 9 ASP N . 19921 1 148 . 1 1 21 21 ARG H H 1 7.72 0.025 . 1 . . . A 10 ARG H . 19921 1 149 . 1 1 21 21 ARG HA H 1 4.67 0.025 . 1 . . . A 10 ARG HA . 19921 1 150 . 1 1 21 21 ARG HB2 H 1 1.78 0.025 . 1 . . . A 10 ARG HB2 . 19921 1 151 . 1 1 21 21 ARG HB3 H 1 1.78 0.025 . 1 . . . A 10 ARG HB3 . 19921 1 152 . 1 1 21 21 ARG HG2 H 1 1.22 0.025 . 1 . . . A 10 ARG HG2 . 19921 1 153 . 1 1 21 21 ARG HG3 H 1 1.57 0.025 . 1 . . . A 10 ARG HG3 . 19921 1 154 . 1 1 21 21 ARG HD2 H 1 2.98 0.025 . 1 . . . A 10 ARG HD2 . 19921 1 155 . 1 1 21 21 ARG HD3 H 1 3.09 0.025 . 1 . . . A 10 ARG HD3 . 19921 1 156 . 1 1 21 21 ARG HE H 1 7.17 0.025 . 1 . . . A 10 ARG HE . 19921 1 157 . 1 1 21 21 ARG CA C 13 54.69 0.400 . 1 . . . A 10 ARG CA . 19921 1 158 . 1 1 21 21 ARG CB C 13 30.91 0.400 . 1 . . . A 10 ARG CB . 19921 1 159 . 1 1 21 21 ARG CG C 13 26.01 0.400 . 1 . . . A 10 ARG CG . 19921 1 160 . 1 1 21 21 ARG CD C 13 43.29 0.400 . 1 . . . A 10 ARG CD . 19921 1 161 . 1 1 21 21 ARG N N 15 111.23 0.400 . 1 . . . A 10 ARG N . 19921 1 162 . 1 1 21 21 ARG NE N 15 82.58 0.400 . 1 . . . A 10 ARG NE . 19921 1 163 . 1 1 22 22 SER H H 1 8.54 0.025 . 1 . . . A 11 SER H . 19921 1 164 . 1 1 22 22 SER HA H 1 5.23 0.025 . 1 . . . A 11 SER HA . 19921 1 165 . 1 1 22 22 SER HB2 H 1 3.68 0.025 . 1 . . . A 11 SER HB2 . 19921 1 166 . 1 1 22 22 SER HB3 H 1 3.63 0.025 . 1 . . . A 11 SER HB3 . 19921 1 167 . 1 1 22 22 SER CA C 13 56.98 0.400 . 1 . . . A 11 SER CA . 19921 1 168 . 1 1 22 22 SER CB C 13 65.87 0.400 . 1 . . . A 11 SER CB . 19921 1 169 . 1 1 22 22 SER N N 15 111.88 0.400 . 1 . . . A 11 SER N . 19921 1 170 . 1 1 23 23 GLU H H 1 9.42 0.025 . 1 . . . A 12 GLU H . 19921 1 171 . 1 1 23 23 GLU HA H 1 4.66 0.025 . 1 . . . A 12 GLU HA . 19921 1 172 . 1 1 23 23 GLU HB2 H 1 1.74 0.025 . 1 . . . A 12 GLU HB2 . 19921 1 173 . 1 1 23 23 GLU HB3 H 1 1.94 0.025 . 1 . . . A 12 GLU HB3 . 19921 1 174 . 1 1 23 23 GLU HG2 H 1 1.99 0.025 . 1 . . . A 12 GLU HG2 . 19921 1 175 . 1 1 23 23 GLU HG3 H 1 2.11 0.025 . 1 . . . A 12 GLU HG3 . 19921 1 176 . 1 1 23 23 GLU CA C 13 55.04 0.400 . 1 . . . A 12 GLU CA . 19921 1 177 . 1 1 23 23 GLU CB C 13 32.66 0.400 . 1 . . . A 12 GLU CB . 19921 1 178 . 1 1 23 23 GLU CG C 13 35.27 0.400 . 1 . . . A 12 GLU CG . 19921 1 179 . 1 1 23 23 GLU N N 15 121.14 0.400 . 1 . . . A 12 GLU N . 19921 1 180 . 1 1 24 24 ASN H H 1 9.29 0.025 . 1 . . . A 13 ASN H . 19921 1 181 . 1 1 24 24 ASN HA H 1 4.65 0.025 . 1 . . . A 13 ASN HA . 19921 1 182 . 1 1 24 24 ASN HB2 H 1 3.78 0.025 . 1 . . . A 13 ASN HB2 . 19921 1 183 . 1 1 24 24 ASN HB3 H 1 2.67 0.025 . 1 . . . A 13 ASN HB3 . 19921 1 184 . 1 1 24 24 ASN HD21 H 1 6.86 0.025 . 1 . . . A 13 ASN HD21 . 19921 1 185 . 1 1 24 24 ASN HD22 H 1 8.07 0.025 . 1 . . . A 13 ASN HD22 . 19921 1 186 . 1 1 24 24 ASN CA C 13 53.83 0.400 . 1 . . . A 13 ASN CA . 19921 1 187 . 1 1 24 24 ASN CB C 13 39.45 0.400 . 1 . . . A 13 ASN CB . 19921 1 188 . 1 1 24 24 ASN N N 15 120.67 0.400 . 1 . . . A 13 ASN N . 19921 1 189 . 1 1 24 24 ASN ND2 N 15 109.87 0.400 . 1 . . . A 13 ASN ND2 . 19921 1 190 . 1 1 25 25 TYR H H 1 8.29 0.025 . 1 . . . A 14 TYR H . 19921 1 191 . 1 1 25 25 TYR HA H 1 4.4 0.025 . 1 . . . A 14 TYR HA . 19921 1 192 . 1 1 25 25 TYR HB2 H 1 3.14 0.025 . 1 . . . A 14 TYR HB2 . 19921 1 193 . 1 1 25 25 TYR HB3 H 1 2.85 0.025 . 1 . . . A 14 TYR HB3 . 19921 1 194 . 1 1 25 25 TYR HD1 H 1 6.89 0.025 . 1 . . . A 14 TYR HD1 . 19921 1 195 . 1 1 25 25 TYR HD2 H 1 6.89 0.025 . 1 . . . A 14 TYR HD2 . 19921 1 196 . 1 1 25 25 TYR HE1 H 1 6.4 0.025 . 1 . . . A 14 TYR HE1 . 19921 1 197 . 1 1 25 25 TYR HE2 H 1 6.4 0.025 . 1 . . . A 14 TYR HE2 . 19921 1 198 . 1 1 25 25 TYR CA C 13 58.9 0.400 . 1 . . . A 14 TYR CA . 19921 1 199 . 1 1 25 25 TYR CB C 13 39.34 0.400 . 1 . . . A 14 TYR CB . 19921 1 200 . 1 1 25 25 TYR CD1 C 13 131.2 0.400 . 1 . . . A 14 TYR CD1 . 19921 1 201 . 1 1 25 25 TYR CD2 C 13 131.21 0.400 . 1 . . . A 14 TYR CD2 . 19921 1 202 . 1 1 25 25 TYR CE1 C 13 117.65 0.400 . 1 . . . A 14 TYR CE1 . 19921 1 203 . 1 1 25 25 TYR CE2 C 13 117.72 0.400 . 1 . . . A 14 TYR CE2 . 19921 1 204 . 1 1 25 25 TYR N N 15 117.97 0.400 . 1 . . . A 14 TYR N . 19921 1 205 . 1 1 26 26 ASP H H 1 8.51 0.025 . 1 . . . A 15 ASP H . 19921 1 206 . 1 1 26 26 ASP HA H 1 4.06 0.025 . 1 . . . A 15 ASP HA . 19921 1 207 . 1 1 26 26 ASP HB2 H 1 2.57 0.025 . 1 . . . A 15 ASP HB2 . 19921 1 208 . 1 1 26 26 ASP HB3 H 1 2.57 0.025 . 1 . . . A 15 ASP HB3 . 19921 1 209 . 1 1 26 26 ASP CA C 13 58.18 0.400 . 1 . . . A 15 ASP CA . 19921 1 210 . 1 1 26 26 ASP CB C 13 40.73 0.400 . 1 . . . A 15 ASP CB . 19921 1 211 . 1 1 26 26 ASP N N 15 117.23 0.400 . 1 . . . A 15 ASP N . 19921 1 212 . 1 1 27 27 LYS H H 1 7.98 0.025 . 1 . . . A 16 LYS H . 19921 1 213 . 1 1 27 27 LYS HA H 1 3.97 0.025 . 1 . . . A 16 LYS HA . 19921 1 214 . 1 1 27 27 LYS HB2 H 1 1.8 0.025 . 1 . . . A 16 LYS HB2 . 19921 1 215 . 1 1 27 27 LYS HB3 H 1 1.65 0.025 . 1 . . . A 16 LYS HB3 . 19921 1 216 . 1 1 27 27 LYS HG2 H 1 1.45 0.025 . 1 . . . A 16 LYS HG2 . 19921 1 217 . 1 1 27 27 LYS HG3 H 1 1.53 0.025 . 1 . . . A 16 LYS HG3 . 19921 1 218 . 1 1 27 27 LYS CA C 13 57.93 0.400 . 1 . . . A 16 LYS CA . 19921 1 219 . 1 1 27 27 LYS CB C 13 31.3 0.400 . 1 . . . A 16 LYS CB . 19921 1 220 . 1 1 27 27 LYS CG C 13 25.03 0.400 . 1 . . . A 16 LYS CG . 19921 1 221 . 1 1 27 27 LYS N N 15 117.61 0.400 . 1 . . . A 16 LYS N . 19921 1 222 . 1 1 28 28 PHE H H 1 7.67 0.025 . 1 . . . A 17 PHE H . 19921 1 223 . 1 1 28 28 PHE HA H 1 3.91 0.025 . 1 . . . A 17 PHE HA . 19921 1 224 . 1 1 28 28 PHE HB2 H 1 3.19 0.025 . 1 . . . A 17 PHE HB2 . 19921 1 225 . 1 1 28 28 PHE HB3 H 1 3.05 0.025 . 1 . . . A 17 PHE HB3 . 19921 1 226 . 1 1 28 28 PHE HD1 H 1 6.96 0.025 . 1 . . . A 17 PHE HD1 . 19921 1 227 . 1 1 28 28 PHE HD2 H 1 6.96 0.025 . 1 . . . A 17 PHE HD2 . 19921 1 228 . 1 1 28 28 PHE HE1 H 1 6.78 0.025 . 1 . . . A 17 PHE HE1 . 19921 1 229 . 1 1 28 28 PHE HE2 H 1 6.78 0.025 . 1 . . . A 17 PHE HE2 . 19921 1 230 . 1 1 28 28 PHE CA C 13 61.49 0.400 . 1 . . . A 17 PHE CA . 19921 1 231 . 1 1 28 28 PHE CB C 13 40.37 0.400 . 1 . . . A 17 PHE CB . 19921 1 232 . 1 1 28 28 PHE CD1 C 13 130.94 0.400 . 1 . . . A 17 PHE CD1 . 19921 1 233 . 1 1 28 28 PHE CD2 C 13 130.94 0.400 . 1 . . . A 17 PHE CD2 . 19921 1 234 . 1 1 28 28 PHE CE1 C 13 129.06 0.400 . 1 . . . A 17 PHE CE1 . 19921 1 235 . 1 1 28 28 PHE CE2 C 13 129.06 0.400 . 1 . . . A 17 PHE CE2 . 19921 1 236 . 1 1 28 28 PHE N N 15 119.27 0.400 . 1 . . . A 17 PHE N . 19921 1 237 . 1 1 29 29 MET H H 1 8.17 0.025 . 1 . . . A 18 MET H . 19921 1 238 . 1 1 29 29 MET HA H 1 3.18 0.025 . 1 . . . A 18 MET HA . 19921 1 239 . 1 1 29 29 MET HB2 H 1 1.23 0.025 . 1 . . . A 18 MET HB2 . 19921 1 240 . 1 1 29 29 MET HB3 H 1 2.07 0.025 . 1 . . . A 18 MET HB3 . 19921 1 241 . 1 1 29 29 MET HG2 H 1 1.55 0.025 . 1 . . . A 18 MET HG2 . 19921 1 242 . 1 1 29 29 MET HG3 H 1 2.18 0.025 . 1 . . . A 18 MET HG3 . 19921 1 243 . 1 1 29 29 MET HE1 H 1 1.43 0.025 . 1 . . . A 18 MET HE1 . 19921 1 244 . 1 1 29 29 MET HE2 H 1 1.43 0.025 . 1 . . . A 18 MET HE2 . 19921 1 245 . 1 1 29 29 MET HE3 H 1 1.43 0.025 . 1 . . . A 18 MET HE3 . 19921 1 246 . 1 1 29 29 MET CA C 13 60.02 0.400 . 1 . . . A 18 MET CA . 19921 1 247 . 1 1 29 29 MET CB C 13 34.52 0.400 . 1 . . . A 18 MET CB . 19921 1 248 . 1 1 29 29 MET CG C 13 32.62 0.400 . 1 . . . A 18 MET CG . 19921 1 249 . 1 1 29 29 MET CE C 13 16.73 0.400 . 1 . . . A 18 MET CE . 19921 1 250 . 1 1 29 29 MET N N 15 116.41 0.400 . 1 . . . A 18 MET N . 19921 1 251 . 1 1 30 30 GLU H H 1 8.43 0.025 . 1 . . . A 19 GLU H . 19921 1 252 . 1 1 30 30 GLU HA H 1 3.73 0.025 . 1 . . . A 19 GLU HA . 19921 1 253 . 1 1 30 30 GLU HB2 H 1 2.12 0.025 . 1 . . . A 19 GLU HB2 . 19921 1 254 . 1 1 30 30 GLU HB3 H 1 1.77 0.025 . 1 . . . A 19 GLU HB3 . 19921 1 255 . 1 1 30 30 GLU HG2 H 1 2.12 0.025 . 1 . . . A 19 GLU HG2 . 19921 1 256 . 1 1 30 30 GLU HG3 H 1 1.97 0.025 . 1 . . . A 19 GLU HG3 . 19921 1 257 . 1 1 30 30 GLU CA C 13 59.34 0.400 . 1 . . . A 19 GLU CA . 19921 1 258 . 1 1 30 30 GLU CB C 13 29.32 0.400 . 1 . . . A 19 GLU CB . 19921 1 259 . 1 1 30 30 GLU CG C 13 35.72 0.400 . 1 . . . A 19 GLU CG . 19921 1 260 . 1 1 30 30 GLU N N 15 118.73 0.400 . 1 . . . A 19 GLU N . 19921 1 261 . 1 1 31 31 LYS H H 1 7.96 0.025 . 1 . . . A 20 LYS H . 19921 1 262 . 1 1 31 31 LYS HA H 1 4.02 0.025 . 1 . . . A 20 LYS HA . 19921 1 263 . 1 1 31 31 LYS HB2 H 1 2.03 0.025 . 1 . . . A 20 LYS HB2 . 19921 1 264 . 1 1 31 31 LYS HB3 H 1 1.85 0.025 . 1 . . . A 20 LYS HB3 . 19921 1 265 . 1 1 31 31 LYS HG2 H 1 1.41 0.025 . 1 . . . A 20 LYS HG2 . 19921 1 266 . 1 1 31 31 LYS HG3 H 1 1.61 0.025 . 1 . . . A 20 LYS HG3 . 19921 1 267 . 1 1 31 31 LYS HD2 H 1 1.87 0.025 . 1 . . . A 20 LYS HD2 . 19921 1 268 . 1 1 31 31 LYS HD3 H 1 1.58 0.025 . 1 . . . A 20 LYS HD3 . 19921 1 269 . 1 1 31 31 LYS HE2 H 1 2.95 0.025 . 1 . . . A 20 LYS HE2 . 19921 1 270 . 1 1 31 31 LYS HE3 H 1 3.11 0.025 . 1 . . . A 20 LYS HE3 . 19921 1 271 . 1 1 31 31 LYS CA C 13 56.92 0.400 . 1 . . . A 20 LYS CA . 19921 1 272 . 1 1 31 31 LYS CB C 13 31.51 0.400 . 1 . . . A 20 LYS CB . 19921 1 273 . 1 1 31 31 LYS CG C 13 23.81 0.400 . 1 . . . A 20 LYS CG . 19921 1 274 . 1 1 31 31 LYS CD C 13 28.28 0.400 . 1 . . . A 20 LYS CD . 19921 1 275 . 1 1 31 31 LYS CE C 13 41.97 0.400 . 1 . . . A 20 LYS CE . 19921 1 276 . 1 1 31 31 LYS N N 15 121.57 0.400 . 1 . . . A 20 LYS N . 19921 1 277 . 1 1 32 32 MET H H 1 7.43 0.025 . 1 . . . A 21 MET H . 19921 1 278 . 1 1 32 32 MET HA H 1 3.59 0.025 . 1 . . . A 21 MET HA . 19921 1 279 . 1 1 32 32 MET HB2 H 1 1.74 0.025 . 1 . . . A 21 MET HB2 . 19921 1 280 . 1 1 32 32 MET HB3 H 1 1.48 0.025 . 1 . . . A 21 MET HB3 . 19921 1 281 . 1 1 32 32 MET HG2 H 1 1.21 0.025 . 1 . . . A 21 MET HG2 . 19921 1 282 . 1 1 32 32 MET HG3 H 1 1.04 0.025 . 1 . . . A 21 MET HG3 . 19921 1 283 . 1 1 32 32 MET HE1 H 1 1.31 0.025 . 1 . . . A 21 MET HE1 . 19921 1 284 . 1 1 32 32 MET HE2 H 1 1.31 0.025 . 1 . . . A 21 MET HE2 . 19921 1 285 . 1 1 32 32 MET HE3 H 1 1.31 0.025 . 1 . . . A 21 MET HE3 . 19921 1 286 . 1 1 32 32 MET CA C 13 55.6 0.400 . 1 . . . A 21 MET CA . 19921 1 287 . 1 1 32 32 MET CB C 13 32.6 0.400 . 1 . . . A 21 MET CB . 19921 1 288 . 1 1 32 32 MET CG C 13 33.22 0.400 . 1 . . . A 21 MET CG . 19921 1 289 . 1 1 32 32 MET CE C 13 16.37 0.400 . 1 . . . A 21 MET CE . 19921 1 290 . 1 1 32 32 MET N N 15 113.1 0.400 . 1 . . . A 21 MET N . 19921 1 291 . 1 1 33 33 GLY H H 1 7.64 0.025 . 1 . . . A 22 GLY H . 19921 1 292 . 1 1 33 33 GLY HA2 H 1 3.98 0.025 . 1 . . . A 22 GLY HA2 . 19921 1 293 . 1 1 33 33 GLY HA3 H 1 3.58 0.025 . 1 . . . A 22 GLY HA3 . 19921 1 294 . 1 1 33 33 GLY CA C 13 45.07 0.400 . 1 . . . A 22 GLY CA . 19921 1 295 . 1 1 33 33 GLY N N 15 106.07 0.400 . 1 . . . A 22 GLY N . 19921 1 296 . 1 1 34 34 VAL H H 1 7.36 0.025 . 1 . . . A 23 VAL H . 19921 1 297 . 1 1 34 34 VAL HA H 1 3.6 0.025 . 1 . . . A 23 VAL HA . 19921 1 298 . 1 1 34 34 VAL HB H 1 1.3 0.025 . 1 . . . A 23 VAL HB . 19921 1 299 . 1 1 34 34 VAL HG11 H 1 0.79 0.025 . 2 . . . A 23 VAL HG11 . 19921 1 300 . 1 1 34 34 VAL HG12 H 1 0.79 0.025 . 2 . . . A 23 VAL HG12 . 19921 1 301 . 1 1 34 34 VAL HG13 H 1 0.79 0.025 . 2 . . . A 23 VAL HG13 . 19921 1 302 . 1 1 34 34 VAL HG21 H 1 0.6 0.025 . 2 . . . A 23 VAL HG21 . 19921 1 303 . 1 1 34 34 VAL HG22 H 1 0.6 0.025 . 2 . . . A 23 VAL HG22 . 19921 1 304 . 1 1 34 34 VAL HG23 H 1 0.6 0.025 . 2 . . . A 23 VAL HG23 . 19921 1 305 . 1 1 34 34 VAL CA C 13 62.18 0.400 . 1 . . . A 23 VAL CA . 19921 1 306 . 1 1 34 34 VAL CB C 13 31.88 0.400 . 1 . . . A 23 VAL CB . 19921 1 307 . 1 1 34 34 VAL CG1 C 13 21.36 0.400 . 2 . . . A 23 VAL CG1 . 19921 1 308 . 1 1 34 34 VAL CG2 C 13 20.94 0.400 . 2 . . . A 23 VAL CG2 . 19921 1 309 . 1 1 34 34 VAL N N 15 119.82 0.400 . 1 . . . A 23 VAL N . 19921 1 310 . 1 1 35 35 ASN H H 1 8.87 0.025 . 1 . . . A 24 ASN H . 19921 1 311 . 1 1 35 35 ASN HA H 1 4.32 0.025 . 1 . . . A 24 ASN HA . 19921 1 312 . 1 1 35 35 ASN HB2 H 1 3.07 0.025 . 1 . . . A 24 ASN HB2 . 19921 1 313 . 1 1 35 35 ASN HB3 H 1 2.52 0.025 . 1 . . . A 24 ASN HB3 . 19921 1 314 . 1 1 35 35 ASN HD21 H 1 6.99 0.025 . 1 . . . A 24 ASN HD21 . 19921 1 315 . 1 1 35 35 ASN HD22 H 1 7.74 0.025 . 1 . . . A 24 ASN HD22 . 19921 1 316 . 1 1 35 35 ASN CA C 13 53.87 0.400 . 1 . . . A 24 ASN CA . 19921 1 317 . 1 1 35 35 ASN CB C 13 39.54 0.400 . 1 . . . A 24 ASN CB . 19921 1 318 . 1 1 35 35 ASN N N 15 126.54 0.400 . 1 . . . A 24 ASN N . 19921 1 319 . 1 1 35 35 ASN ND2 N 15 111.88 0.400 . 1 . . . A 24 ASN ND2 . 19921 1 320 . 1 1 36 36 ILE H H 1 8.54 0.025 . 1 . . . A 25 ILE H . 19921 1 321 . 1 1 36 36 ILE HA H 1 3.64 0.025 . 1 . . . A 25 ILE HA . 19921 1 322 . 1 1 36 36 ILE HB H 1 1.77 0.025 . 1 . . . A 25 ILE HB . 19921 1 323 . 1 1 36 36 ILE HG12 H 1 1.15 0.025 . 1 . . . A 25 ILE HG12 . 19921 1 324 . 1 1 36 36 ILE HG13 H 1 1.38 0.025 . 1 . . . A 25 ILE HG13 . 19921 1 325 . 1 1 36 36 ILE HG21 H 1 0.91 0.025 . 1 . . . A 25 ILE HG21 . 19921 1 326 . 1 1 36 36 ILE HG22 H 1 0.91 0.025 . 1 . . . A 25 ILE HG22 . 19921 1 327 . 1 1 36 36 ILE HG23 H 1 0.91 0.025 . 1 . . . A 25 ILE HG23 . 19921 1 328 . 1 1 36 36 ILE HD11 H 1 0.82 0.025 . 1 . . . A 25 ILE HD11 . 19921 1 329 . 1 1 36 36 ILE HD12 H 1 0.82 0.025 . 1 . . . A 25 ILE HD12 . 19921 1 330 . 1 1 36 36 ILE HD13 H 1 0.82 0.025 . 1 . . . A 25 ILE HD13 . 19921 1 331 . 1 1 36 36 ILE CA C 13 64.57 0.400 . 1 . . . A 25 ILE CA . 19921 1 332 . 1 1 36 36 ILE CB C 13 38.48 0.400 . 1 . . . A 25 ILE CB . 19921 1 333 . 1 1 36 36 ILE CG1 C 13 28.89 0.400 . 1 . . . A 25 ILE CG1 . 19921 1 334 . 1 1 36 36 ILE CG2 C 13 16.73 0.400 . 1 . . . A 25 ILE CG2 . 19921 1 335 . 1 1 36 36 ILE CD1 C 13 13.53 0.400 . 1 . . . A 25 ILE CD1 . 19921 1 336 . 1 1 36 36 ILE N N 15 121.16 0.400 . 1 . . . A 25 ILE N . 19921 1 337 . 1 1 37 37 VAL H H 1 7.52 0.025 . 1 . . . A 26 VAL H . 19921 1 338 . 1 1 37 37 VAL HA H 1 3.62 0.025 . 1 . . . A 26 VAL HA . 19921 1 339 . 1 1 37 37 VAL HB H 1 2.02 0.025 . 1 . . . A 26 VAL HB . 19921 1 340 . 1 1 37 37 VAL HG11 H 1 0.96 0.025 . 2 . . . A 26 VAL HG11 . 19921 1 341 . 1 1 37 37 VAL HG12 H 1 0.96 0.025 . 2 . . . A 26 VAL HG12 . 19921 1 342 . 1 1 37 37 VAL HG13 H 1 0.96 0.025 . 2 . . . A 26 VAL HG13 . 19921 1 343 . 1 1 37 37 VAL HG21 H 1 0.87 0.025 . 2 . . . A 26 VAL HG21 . 19921 1 344 . 1 1 37 37 VAL HG22 H 1 0.87 0.025 . 2 . . . A 26 VAL HG22 . 19921 1 345 . 1 1 37 37 VAL HG23 H 1 0.87 0.025 . 2 . . . A 26 VAL HG23 . 19921 1 346 . 1 1 37 37 VAL CA C 13 65.85 0.400 . 1 . . . A 26 VAL CA . 19921 1 347 . 1 1 37 37 VAL CB C 13 31.49 0.400 . 1 . . . A 26 VAL CB . 19921 1 348 . 1 1 37 37 VAL CG1 C 13 22.02 0.400 . 2 . . . A 26 VAL CG1 . 19921 1 349 . 1 1 37 37 VAL CG2 C 13 20.63 0.400 . 2 . . . A 26 VAL CG2 . 19921 1 350 . 1 1 37 37 VAL N N 15 119.56 0.400 . 1 . . . A 26 VAL N . 19921 1 351 . 1 1 38 38 LYS H H 1 7.61 0.025 . 1 . . . A 27 LYS H . 19921 1 352 . 1 1 38 38 LYS HA H 1 4.07 0.025 . 1 . . . A 27 LYS HA . 19921 1 353 . 1 1 38 38 LYS HB2 H 1 1.76 0.025 . 1 . . . A 27 LYS HB2 . 19921 1 354 . 1 1 38 38 LYS HB3 H 1 1.54 0.025 . 1 . . . A 27 LYS HB3 . 19921 1 355 . 1 1 38 38 LYS HG2 H 1 1.47 0.025 . 1 . . . A 27 LYS HG2 . 19921 1 356 . 1 1 38 38 LYS HG3 H 1 1.35 0.025 . 1 . . . A 27 LYS HG3 . 19921 1 357 . 1 1 38 38 LYS CA C 13 58.18 0.400 . 1 . . . A 27 LYS CA . 19921 1 358 . 1 1 38 38 LYS CB C 13 32.35 0.400 . 1 . . . A 27 LYS CB . 19921 1 359 . 1 1 38 38 LYS CG C 13 26 0.400 . 1 . . . A 27 LYS CG . 19921 1 360 . 1 1 38 38 LYS N N 15 117.1 0.400 . 1 . . . A 27 LYS N . 19921 1 361 . 1 1 39 39 ARG H H 1 8.49 0.025 . 1 . . . A 28 ARG H . 19921 1 362 . 1 1 39 39 ARG HA H 1 3.8 0.025 . 1 . . . A 28 ARG HA . 19921 1 363 . 1 1 39 39 ARG HB2 H 1 1.67 0.025 . 1 . . . A 28 ARG HB2 . 19921 1 364 . 1 1 39 39 ARG HB3 H 1 1.8 0.025 . 1 . . . A 28 ARG HB3 . 19921 1 365 . 1 1 39 39 ARG HG2 H 1 1.27 0.025 . 1 . . . A 28 ARG HG2 . 19921 1 366 . 1 1 39 39 ARG HG3 H 1 1.67 0.025 . 1 . . . A 28 ARG HG3 . 19921 1 367 . 1 1 39 39 ARG HD2 H 1 3.02 0.025 . 1 . . . A 28 ARG HD2 . 19921 1 368 . 1 1 39 39 ARG HD3 H 1 2.8 0.025 . 1 . . . A 28 ARG HD3 . 19921 1 369 . 1 1 39 39 ARG HE H 1 7.24 0.025 . 1 . . . A 28 ARG HE . 19921 1 370 . 1 1 39 39 ARG CA C 13 59.51 0.400 . 1 . . . A 28 ARG CA . 19921 1 371 . 1 1 39 39 ARG CB C 13 30.54 0.400 . 1 . . . A 28 ARG CB . 19921 1 372 . 1 1 39 39 ARG CG C 13 27.74 0.400 . 1 . . . A 28 ARG CG . 19921 1 373 . 1 1 39 39 ARG CD C 13 44.47 0.400 . 1 . . . A 28 ARG CD . 19921 1 374 . 1 1 39 39 ARG N N 15 117.29 0.400 . 1 . . . A 28 ARG N . 19921 1 375 . 1 1 39 39 ARG NE N 15 79.91 0.400 . 1 . . . A 28 ARG NE . 19921 1 376 . 1 1 40 40 LYS H H 1 7.69 0.025 . 1 . . . A 29 LYS H . 19921 1 377 . 1 1 40 40 LYS HA H 1 3.99 0.025 . 1 . . . A 29 LYS HA . 19921 1 378 . 1 1 40 40 LYS HB2 H 1 1.84 0.025 . 1 . . . A 29 LYS HB2 . 19921 1 379 . 1 1 40 40 LYS HB3 H 1 1.84 0.025 . 1 . . . A 29 LYS HB3 . 19921 1 380 . 1 1 40 40 LYS HG2 H 1 1.58 0.025 . 1 . . . A 29 LYS HG2 . 19921 1 381 . 1 1 40 40 LYS HG3 H 1 1.38 0.025 . 1 . . . A 29 LYS HG3 . 19921 1 382 . 1 1 40 40 LYS HD2 H 1 1.6 0.025 . 1 . . . A 29 LYS HD2 . 19921 1 383 . 1 1 40 40 LYS HD3 H 1 1.6 0.025 . 1 . . . A 29 LYS HD3 . 19921 1 384 . 1 1 40 40 LYS CA C 13 59.17 0.400 . 1 . . . A 29 LYS CA . 19921 1 385 . 1 1 40 40 LYS CB C 13 31.87 0.400 . 1 . . . A 29 LYS CB . 19921 1 386 . 1 1 40 40 LYS CG C 13 25.13 0.400 . 1 . . . A 29 LYS CG . 19921 1 387 . 1 1 40 40 LYS CD C 13 29.27 0.400 . 1 . . . A 29 LYS CD . 19921 1 388 . 1 1 40 40 LYS N N 15 117.32 0.400 . 1 . . . A 29 LYS N . 19921 1 389 . 1 1 41 41 LEU H H 1 7.15 0.025 . 1 . . . A 30 LEU H . 19921 1 390 . 1 1 41 41 LEU HA H 1 4.02 0.025 . 1 . . . A 30 LEU HA . 19921 1 391 . 1 1 41 41 LEU HB2 H 1 1.66 0.025 . 2 . . . A 30 LEU HB2 . 19921 1 392 . 1 1 41 41 LEU HB3 H 1 1.44 0.025 . 2 . . . A 30 LEU HB3 . 19921 1 393 . 1 1 41 41 LEU HG H 1 1.36 0.025 . 1 . . . A 30 LEU HG . 19921 1 394 . 1 1 41 41 LEU HD11 H 1 0.74 0.025 . 2 . . . A 30 LEU HD11 . 19921 1 395 . 1 1 41 41 LEU HD12 H 1 0.74 0.025 . 2 . . . A 30 LEU HD12 . 19921 1 396 . 1 1 41 41 LEU HD13 H 1 0.74 0.025 . 2 . . . A 30 LEU HD13 . 19921 1 397 . 1 1 41 41 LEU HD21 H 1 0.56 0.025 . 2 . . . A 30 LEU HD21 . 19921 1 398 . 1 1 41 41 LEU HD22 H 1 0.56 0.025 . 2 . . . A 30 LEU HD22 . 19921 1 399 . 1 1 41 41 LEU HD23 H 1 0.56 0.025 . 2 . . . A 30 LEU HD23 . 19921 1 400 . 1 1 41 41 LEU CA C 13 56.65 0.400 . 1 . . . A 30 LEU CA . 19921 1 401 . 1 1 41 41 LEU CB C 13 41.92 0.400 . 1 . . . A 30 LEU CB . 19921 1 402 . 1 1 41 41 LEU CG C 13 26.46 0.400 . 1 . . . A 30 LEU CG . 19921 1 403 . 1 1 41 41 LEU CD1 C 13 24.1 0.400 . 2 . . . A 30 LEU CD1 . 19921 1 404 . 1 1 41 41 LEU CD2 C 13 23.27 0.400 . 2 . . . A 30 LEU CD2 . 19921 1 405 . 1 1 41 41 LEU N N 15 117.73 0.400 . 1 . . . A 30 LEU N . 19921 1 406 . 1 1 42 42 ALA H H 1 8.55 0.025 . 1 . . . A 31 ALA H . 19921 1 407 . 1 1 42 42 ALA HA H 1 4.11 0.025 . 1 . . . A 31 ALA HA . 19921 1 408 . 1 1 42 42 ALA HB1 H 1 1.54 0.025 . 1 . . . A 31 ALA HB1 . 19921 1 409 . 1 1 42 42 ALA HB2 H 1 1.54 0.025 . 1 . . . A 31 ALA HB2 . 19921 1 410 . 1 1 42 42 ALA HB3 H 1 1.54 0.025 . 1 . . . A 31 ALA HB3 . 19921 1 411 . 1 1 42 42 ALA CA C 13 54.36 0.400 . 1 . . . A 31 ALA CA . 19921 1 412 . 1 1 42 42 ALA CB C 13 19.58 0.400 . 1 . . . A 31 ALA CB . 19921 1 413 . 1 1 42 42 ALA N N 15 119.06 0.400 . 1 . . . A 31 ALA N . 19921 1 414 . 1 1 43 43 ALA H H 1 7.31 0.025 . 1 . . . A 32 ALA H . 19921 1 415 . 1 1 43 43 ALA HA H 1 4.1 0.025 . 1 . . . A 32 ALA HA . 19921 1 416 . 1 1 43 43 ALA HB1 H 1 1.31 0.025 . 1 . . . A 32 ALA HB1 . 19921 1 417 . 1 1 43 43 ALA HB2 H 1 1.31 0.025 . 1 . . . A 32 ALA HB2 . 19921 1 418 . 1 1 43 43 ALA HB3 H 1 1.31 0.025 . 1 . . . A 32 ALA HB3 . 19921 1 419 . 1 1 43 43 ALA CA C 13 53.06 0.400 . 1 . . . A 32 ALA CA . 19921 1 420 . 1 1 43 43 ALA CB C 13 18.4 0.400 . 1 . . . A 32 ALA CB . 19921 1 421 . 1 1 43 43 ALA N N 15 114.4 0.400 . 1 . . . A 32 ALA N . 19921 1 422 . 1 1 44 44 HIS H H 1 7.59 0.025 . 1 . . . A 33 HIS H . 19921 1 423 . 1 1 44 44 HIS HA H 1 4.94 0.025 . 1 . . . A 33 HIS HA . 19921 1 424 . 1 1 44 44 HIS HB2 H 1 3.33 0.025 . 1 . . . A 33 HIS HB2 . 19921 1 425 . 1 1 44 44 HIS HB3 H 1 2.9 0.025 . 1 . . . A 33 HIS HB3 . 19921 1 426 . 1 1 44 44 HIS HD2 H 1 7.31 0.025 . 1 . . . A 33 HIS HD2 . 19921 1 427 . 1 1 44 44 HIS HE1 H 1 8.49 0.025 . 1 . . . A 33 HIS HE1 . 19921 1 428 . 1 1 44 44 HIS CA C 13 53.23 0.400 . 1 . . . A 33 HIS CA . 19921 1 429 . 1 1 44 44 HIS CB C 13 28 0.400 . 1 . . . A 33 HIS CB . 19921 1 430 . 1 1 44 44 HIS CD2 C 13 120.21 0.400 . 1 . . . A 33 HIS CD2 . 19921 1 431 . 1 1 44 44 HIS CE1 C 13 136.01 0.400 . 1 . . . A 33 HIS CE1 . 19921 1 432 . 1 1 44 44 HIS N N 15 115.59 0.400 . 1 . . . A 33 HIS N . 19921 1 433 . 1 1 45 45 ASP H H 1 7.21 0.025 . 1 . . . A 34 ASP H . 19921 1 434 . 1 1 45 45 ASP HA H 1 3.93 0.025 . 1 . . . A 34 ASP HA . 19921 1 435 . 1 1 45 45 ASP HB2 H 1 2.92 0.025 . 1 . . . A 34 ASP HB2 . 19921 1 436 . 1 1 45 45 ASP HB3 H 1 2.81 0.025 . 1 . . . A 34 ASP HB3 . 19921 1 437 . 1 1 45 45 ASP CA C 13 54.27 0.400 . 1 . . . A 34 ASP CA . 19921 1 438 . 1 1 45 45 ASP CB C 13 40.56 0.400 . 1 . . . A 34 ASP CB . 19921 1 439 . 1 1 45 45 ASP N N 15 116.06 0.400 . 1 . . . A 34 ASP N . 19921 1 440 . 1 1 46 46 ASN H H 1 8.94 0.025 . 1 . . . A 35 ASN H . 19921 1 441 . 1 1 46 46 ASN HA H 1 4.18 0.025 . 1 . . . A 35 ASN HA . 19921 1 442 . 1 1 46 46 ASN HB2 H 1 2.95 0.025 . 1 . . . A 35 ASN HB2 . 19921 1 443 . 1 1 46 46 ASN HB3 H 1 2.68 0.025 . 1 . . . A 35 ASN HB3 . 19921 1 444 . 1 1 46 46 ASN HD21 H 1 6.72 0.025 . 1 . . . A 35 ASN HD21 . 19921 1 445 . 1 1 46 46 ASN HD22 H 1 7.39 0.025 . 1 . . . A 35 ASN HD22 . 19921 1 446 . 1 1 46 46 ASN CA C 13 53.22 0.400 . 1 . . . A 35 ASN CA . 19921 1 447 . 1 1 46 46 ASN CB C 13 37.19 0.400 . 1 . . . A 35 ASN CB . 19921 1 448 . 1 1 46 46 ASN N N 15 116.63 0.400 . 1 . . . A 35 ASN N . 19921 1 449 . 1 1 46 46 ASN ND2 N 15 111.11 0.400 . 1 . . . A 35 ASN ND2 . 19921 1 450 . 1 1 47 47 LEU H H 1 6.81 0.025 . 1 . . . A 36 LEU H . 19921 1 451 . 1 1 47 47 LEU HA H 1 4.28 0.025 . 1 . . . A 36 LEU HA . 19921 1 452 . 1 1 47 47 LEU HB2 H 1 1.77 0.025 . 2 . . . A 36 LEU HB2 . 19921 1 453 . 1 1 47 47 LEU HB3 H 1 1.61 0.025 . 2 . . . A 36 LEU HB3 . 19921 1 454 . 1 1 47 47 LEU HG H 1 1.57 0.025 . 1 . . . A 36 LEU HG . 19921 1 455 . 1 1 47 47 LEU HD11 H 1 1.06 0.025 . 2 . . . A 36 LEU HD11 . 19921 1 456 . 1 1 47 47 LEU HD12 H 1 1.06 0.025 . 2 . . . A 36 LEU HD12 . 19921 1 457 . 1 1 47 47 LEU HD13 H 1 1.06 0.025 . 2 . . . A 36 LEU HD13 . 19921 1 458 . 1 1 47 47 LEU HD21 H 1 1.08 0.025 . 2 . . . A 36 LEU HD21 . 19921 1 459 . 1 1 47 47 LEU HD22 H 1 1.08 0.025 . 2 . . . A 36 LEU HD22 . 19921 1 460 . 1 1 47 47 LEU HD23 H 1 1.08 0.025 . 2 . . . A 36 LEU HD23 . 19921 1 461 . 1 1 47 47 LEU CA C 13 56.76 0.400 . 1 . . . A 36 LEU CA . 19921 1 462 . 1 1 47 47 LEU CB C 13 42.22 0.400 . 1 . . . A 36 LEU CB . 19921 1 463 . 1 1 47 47 LEU CG C 13 27.48 0.400 . 1 . . . A 36 LEU CG . 19921 1 464 . 1 1 47 47 LEU CD1 C 13 23.42 0.400 . 2 . . . A 36 LEU CD1 . 19921 1 465 . 1 1 47 47 LEU CD2 C 13 27.32 0.400 . 2 . . . A 36 LEU CD2 . 19921 1 466 . 1 1 47 47 LEU N N 15 117.17 0.400 . 1 . . . A 36 LEU N . 19921 1 467 . 1 1 48 48 LYS H H 1 9.4 0.025 . 1 . . . A 37 LYS H . 19921 1 468 . 1 1 48 48 LYS HA H 1 5.57 0.025 . 1 . . . A 37 LYS HA . 19921 1 469 . 1 1 48 48 LYS HB2 H 1 1.74 0.025 . 1 . . . A 37 LYS HB2 . 19921 1 470 . 1 1 48 48 LYS HB3 H 1 1.82 0.025 . 1 . . . A 37 LYS HB3 . 19921 1 471 . 1 1 48 48 LYS HG2 H 1 1.34 0.025 . 1 . . . A 37 LYS HG2 . 19921 1 472 . 1 1 48 48 LYS HG3 H 1 1.53 0.025 . 1 . . . A 37 LYS HG3 . 19921 1 473 . 1 1 48 48 LYS CA C 13 54.51 0.400 . 1 . . . A 37 LYS CA . 19921 1 474 . 1 1 48 48 LYS CB C 13 35.78 0.400 . 1 . . . A 37 LYS CB . 19921 1 475 . 1 1 48 48 LYS CG C 13 25.03 0.400 . 1 . . . A 37 LYS CG . 19921 1 476 . 1 1 48 48 LYS N N 15 126 0.400 . 1 . . . A 37 LYS N . 19921 1 477 . 1 1 49 49 LEU H H 1 9.29 0.025 . 1 . . . A 38 LEU H . 19921 1 478 . 1 1 49 49 LEU HA H 1 5.53 0.025 . 1 . . . A 38 LEU HA . 19921 1 479 . 1 1 49 49 LEU HB2 H 1 1.06 0.025 . 2 . . . A 38 LEU HB2 . 19921 1 480 . 1 1 49 49 LEU HB3 H 1 1.56 0.025 . 2 . . . A 38 LEU HB3 . 19921 1 481 . 1 1 49 49 LEU HG H 1 1.46 0.025 . 1 . . . A 38 LEU HG . 19921 1 482 . 1 1 49 49 LEU HD11 H 1 0.85 0.025 . 2 . . . A 38 LEU HD11 . 19921 1 483 . 1 1 49 49 LEU HD12 H 1 0.85 0.025 . 2 . . . A 38 LEU HD12 . 19921 1 484 . 1 1 49 49 LEU HD13 H 1 0.85 0.025 . 2 . . . A 38 LEU HD13 . 19921 1 485 . 1 1 49 49 LEU HD21 H 1 0.3 0.025 . 2 . . . A 38 LEU HD21 . 19921 1 486 . 1 1 49 49 LEU HD22 H 1 0.3 0.025 . 2 . . . A 38 LEU HD22 . 19921 1 487 . 1 1 49 49 LEU HD23 H 1 0.3 0.025 . 2 . . . A 38 LEU HD23 . 19921 1 488 . 1 1 49 49 LEU CA C 13 52.08 0.400 . 1 . . . A 38 LEU CA . 19921 1 489 . 1 1 49 49 LEU CB C 13 46.18 0.400 . 1 . . . A 38 LEU CB . 19921 1 490 . 1 1 49 49 LEU CG C 13 26.38 0.400 . 1 . . . A 38 LEU CG . 19921 1 491 . 1 1 49 49 LEU CD1 C 13 23.94 0.400 . 2 . . . A 38 LEU CD1 . 19921 1 492 . 1 1 49 49 LEU CD2 C 13 25.63 0.400 . 2 . . . A 38 LEU CD2 . 19921 1 493 . 1 1 49 49 LEU N N 15 121.14 0.400 . 1 . . . A 38 LEU N . 19921 1 494 . 1 1 50 50 THR H H 1 9.12 0.025 . 1 . . . A 39 THR H . 19921 1 495 . 1 1 50 50 THR HA H 1 5.21 0.025 . 1 . . . A 39 THR HA . 19921 1 496 . 1 1 50 50 THR HB H 1 3.99 0.025 . 1 . . . A 39 THR HB . 19921 1 497 . 1 1 50 50 THR HG21 H 1 1.09 0.025 . 1 . . . A 39 THR HG21 . 19921 1 498 . 1 1 50 50 THR HG22 H 1 1.09 0.025 . 1 . . . A 39 THR HG22 . 19921 1 499 . 1 1 50 50 THR HG23 H 1 1.09 0.025 . 1 . . . A 39 THR HG23 . 19921 1 500 . 1 1 50 50 THR CA C 13 62.31 0.400 . 1 . . . A 39 THR CA . 19921 1 501 . 1 1 50 50 THR CB C 13 69.74 0.400 . 1 . . . A 39 THR CB . 19921 1 502 . 1 1 50 50 THR CG2 C 13 21.27 0.400 . 1 . . . A 39 THR CG2 . 19921 1 503 . 1 1 50 50 THR N N 15 119.42 0.400 . 1 . . . A 39 THR N . 19921 1 504 . 1 1 51 51 ILE H H 1 8.51 0.025 . 1 . . . A 40 ILE H . 19921 1 505 . 1 1 51 51 ILE HA H 1 4.85 0.025 . 1 . . . A 40 ILE HA . 19921 1 506 . 1 1 51 51 ILE HB H 1 2.32 0.025 . 1 . . . A 40 ILE HB . 19921 1 507 . 1 1 51 51 ILE HG12 H 1 1.67 0.025 . 1 . . . A 40 ILE HG12 . 19921 1 508 . 1 1 51 51 ILE HG13 H 1 0.9 0.025 . 1 . . . A 40 ILE HG13 . 19921 1 509 . 1 1 51 51 ILE HG21 H 1 0.75 0.025 . 1 . . . A 40 ILE HG21 . 19921 1 510 . 1 1 51 51 ILE HG22 H 1 0.75 0.025 . 1 . . . A 40 ILE HG22 . 19921 1 511 . 1 1 51 51 ILE HG23 H 1 0.75 0.025 . 1 . . . A 40 ILE HG23 . 19921 1 512 . 1 1 51 51 ILE HD11 H 1 0.54 0.025 . 1 . . . A 40 ILE HD11 . 19921 1 513 . 1 1 51 51 ILE HD12 H 1 0.54 0.025 . 1 . . . A 40 ILE HD12 . 19921 1 514 . 1 1 51 51 ILE HD13 H 1 0.54 0.025 . 1 . . . A 40 ILE HD13 . 19921 1 515 . 1 1 51 51 ILE CA C 13 60.87 0.400 . 1 . . . A 40 ILE CA . 19921 1 516 . 1 1 51 51 ILE CB C 13 39.53 0.400 . 1 . . . A 40 ILE CB . 19921 1 517 . 1 1 51 51 ILE CG1 C 13 27.85 0.400 . 1 . . . A 40 ILE CG1 . 19921 1 518 . 1 1 51 51 ILE CG2 C 13 16.67 0.400 . 1 . . . A 40 ILE CG2 . 19921 1 519 . 1 1 51 51 ILE CD1 C 13 11.57 0.400 . 1 . . . A 40 ILE CD1 . 19921 1 520 . 1 1 51 51 ILE N N 15 127.45 0.400 . 1 . . . A 40 ILE N . 19921 1 521 . 1 1 52 52 THR H H 1 8.6 0.025 . 1 . . . A 41 THR H . 19921 1 522 . 1 1 52 52 THR HA H 1 4.42 0.025 . 1 . . . A 41 THR HA . 19921 1 523 . 1 1 52 52 THR HB H 1 3.81 0.025 . 1 . . . A 41 THR HB . 19921 1 524 . 1 1 52 52 THR HG21 H 1 0.96 0.025 . 1 . . . A 41 THR HG21 . 19921 1 525 . 1 1 52 52 THR HG22 H 1 0.96 0.025 . 1 . . . A 41 THR HG22 . 19921 1 526 . 1 1 52 52 THR HG23 H 1 0.96 0.025 . 1 . . . A 41 THR HG23 . 19921 1 527 . 1 1 52 52 THR CA C 13 60.46 0.400 . 1 . . . A 41 THR CA . 19921 1 528 . 1 1 52 52 THR CB C 13 71.14 0.400 . 1 . . . A 41 THR CB . 19921 1 529 . 1 1 52 52 THR CG2 C 13 21.6 0.400 . 1 . . . A 41 THR CG2 . 19921 1 530 . 1 1 52 52 THR N N 15 119.15 0.400 . 1 . . . A 41 THR N . 19921 1 531 . 1 1 53 53 GLN H H 1 9.1 0.025 . 1 . . . A 42 GLN H . 19921 1 532 . 1 1 53 53 GLN HA H 1 4.15 0.025 . 1 . . . A 42 GLN HA . 19921 1 533 . 1 1 53 53 GLN HB2 H 1 0.93 0.025 . 1 . . . A 42 GLN HB2 . 19921 1 534 . 1 1 53 53 GLN HB3 H 1 1.5 0.025 . 1 . . . A 42 GLN HB3 . 19921 1 535 . 1 1 53 53 GLN HG2 H 1 1.61 0.025 . 1 . . . A 42 GLN HG2 . 19921 1 536 . 1 1 53 53 GLN HG3 H 1 0.97 0.025 . 1 . . . A 42 GLN HG3 . 19921 1 537 . 1 1 53 53 GLN HE21 H 1 7.55 0.025 . 1 . . . A 42 GLN HE21 . 19921 1 538 . 1 1 53 53 GLN HE22 H 1 6.34 0.025 . 1 . . . A 42 GLN HE22 . 19921 1 539 . 1 1 53 53 GLN CA C 13 54 0.400 . 1 . . . A 42 GLN CA . 19921 1 540 . 1 1 53 53 GLN CB C 13 29.92 0.400 . 1 . . . A 42 GLN CB . 19921 1 541 . 1 1 53 53 GLN CG C 13 32.37 0.400 . 1 . . . A 42 GLN CG . 19921 1 542 . 1 1 53 53 GLN N N 15 125.71 0.400 . 1 . . . A 42 GLN N . 19921 1 543 . 1 1 53 53 GLN NE2 N 15 106.15 0.400 . 1 . . . A 42 GLN NE2 . 19921 1 544 . 1 1 54 54 GLU H H 1 8.78 0.025 . 1 . . . A 43 GLU H . 19921 1 545 . 1 1 54 54 GLU HA H 1 4.31 0.025 . 1 . . . A 43 GLU HA . 19921 1 546 . 1 1 54 54 GLU HB2 H 1 1.78 0.025 . 1 . . . A 43 GLU HB2 . 19921 1 547 . 1 1 54 54 GLU HB3 H 1 1.63 0.025 . 1 . . . A 43 GLU HB3 . 19921 1 548 . 1 1 54 54 GLU HG2 H 1 1.91 0.025 . 1 . . . A 43 GLU HG2 . 19921 1 549 . 1 1 54 54 GLU HG3 H 1 1.94 0.025 . 1 . . . A 43 GLU HG3 . 19921 1 550 . 1 1 54 54 GLU CA C 13 54.32 0.400 . 1 . . . A 43 GLU CA . 19921 1 551 . 1 1 54 54 GLU CB C 13 30.85 0.400 . 1 . . . A 43 GLU CB . 19921 1 552 . 1 1 54 54 GLU CG C 13 35.87 0.400 . 1 . . . A 43 GLU CG . 19921 1 553 . 1 1 54 54 GLU N N 15 126.63 0.400 . 1 . . . A 43 GLU N . 19921 1 554 . 1 1 55 55 GLY H H 1 8.99 0.025 . 1 . . . A 44 GLY H . 19921 1 555 . 1 1 55 55 GLY HA2 H 1 3.84 0.025 . 1 . . . A 44 GLY HA2 . 19921 1 556 . 1 1 55 55 GLY HA3 H 1 3.45 0.025 . 1 . . . A 44 GLY HA3 . 19921 1 557 . 1 1 55 55 GLY CA C 13 47.09 0.400 . 1 . . . A 44 GLY CA . 19921 1 558 . 1 1 55 55 GLY N N 15 116.1 0.400 . 1 . . . A 44 GLY N . 19921 1 559 . 1 1 56 56 ASN H H 1 8.74 0.025 . 1 . . . A 45 ASN H . 19921 1 560 . 1 1 56 56 ASN HA H 1 4.75 0.025 . 1 . . . A 45 ASN HA . 19921 1 561 . 1 1 56 56 ASN HB2 H 1 3.06 0.025 . 1 . . . A 45 ASN HB2 . 19921 1 562 . 1 1 56 56 ASN HB3 H 1 2.85 0.025 . 1 . . . A 45 ASN HB3 . 19921 1 563 . 1 1 56 56 ASN HD21 H 1 6.91 0.025 . 1 . . . A 45 ASN HD21 . 19921 1 564 . 1 1 56 56 ASN HD22 H 1 7.78 0.025 . 1 . . . A 45 ASN HD22 . 19921 1 565 . 1 1 56 56 ASN CA C 13 52.67 0.400 . 1 . . . A 45 ASN CA . 19921 1 566 . 1 1 56 56 ASN CB C 13 38.59 0.400 . 1 . . . A 45 ASN CB . 19921 1 567 . 1 1 56 56 ASN N N 15 123.63 0.400 . 1 . . . A 45 ASN N . 19921 1 568 . 1 1 56 56 ASN ND2 N 15 110.85 0.400 . 1 . . . A 45 ASN ND2 . 19921 1 569 . 1 1 57 57 LYS H H 1 7.84 0.025 . 1 . . . A 46 LYS H . 19921 1 570 . 1 1 57 57 LYS HA H 1 4.85 0.025 . 1 . . . A 46 LYS HA . 19921 1 571 . 1 1 57 57 LYS HB2 H 1 1.77 0.025 . 1 . . . A 46 LYS HB2 . 19921 1 572 . 1 1 57 57 LYS HB3 H 1 1.63 0.025 . 1 . . . A 46 LYS HB3 . 19921 1 573 . 1 1 57 57 LYS HG2 H 1 1.02 0.025 . 1 . . . A 46 LYS HG2 . 19921 1 574 . 1 1 57 57 LYS HG3 H 1 1.2 0.025 . 1 . . . A 46 LYS HG3 . 19921 1 575 . 1 1 57 57 LYS CA C 13 54.96 0.400 . 1 . . . A 46 LYS CA . 19921 1 576 . 1 1 57 57 LYS CB C 13 34.08 0.400 . 1 . . . A 46 LYS CB . 19921 1 577 . 1 1 57 57 LYS CG C 13 24.85 0.400 . 1 . . . A 46 LYS CG . 19921 1 578 . 1 1 57 57 LYS N N 15 119.03 0.400 . 1 . . . A 46 LYS N . 19921 1 579 . 1 1 58 58 PHE H H 1 9.12 0.025 . 1 . . . A 47 PHE H . 19921 1 580 . 1 1 58 58 PHE HA H 1 4.66 0.025 . 1 . . . A 47 PHE HA . 19921 1 581 . 1 1 58 58 PHE HB2 H 1 1.46 0.025 . 1 . . . A 47 PHE HB2 . 19921 1 582 . 1 1 58 58 PHE HB3 H 1 1.02 0.025 . 1 . . . A 47 PHE HB3 . 19921 1 583 . 1 1 58 58 PHE HD1 H 1 6.52 0.025 . 1 . . . A 47 PHE HD1 . 19921 1 584 . 1 1 58 58 PHE HD2 H 1 6.52 0.025 . 1 . . . A 47 PHE HD2 . 19921 1 585 . 1 1 58 58 PHE CA C 13 55.93 0.400 . 1 . . . A 47 PHE CA . 19921 1 586 . 1 1 58 58 PHE CB C 13 42.54 0.400 . 1 . . . A 47 PHE CB . 19921 1 587 . 1 1 58 58 PHE CD1 C 13 130.27 0.400 . 1 . . . A 47 PHE CD1 . 19921 1 588 . 1 1 58 58 PHE CD2 C 13 130.27 0.400 . 1 . . . A 47 PHE CD2 . 19921 1 589 . 1 1 58 58 PHE N N 15 125 0.400 . 1 . . . A 47 PHE N . 19921 1 590 . 1 1 59 59 THR H H 1 8.33 0.025 . 1 . . . A 48 THR H . 19921 1 591 . 1 1 59 59 THR HA H 1 4.73 0.025 . 1 . . . A 48 THR HA . 19921 1 592 . 1 1 59 59 THR HB H 1 3.77 0.025 . 1 . . . A 48 THR HB . 19921 1 593 . 1 1 59 59 THR HG21 H 1 0.93 0.025 . 1 . . . A 48 THR HG21 . 19921 1 594 . 1 1 59 59 THR HG22 H 1 0.93 0.025 . 1 . . . A 48 THR HG22 . 19921 1 595 . 1 1 59 59 THR HG23 H 1 0.93 0.025 . 1 . . . A 48 THR HG23 . 19921 1 596 . 1 1 59 59 THR CA C 13 61.7 0.400 . 1 . . . A 48 THR CA . 19921 1 597 . 1 1 59 59 THR CB C 13 69.69 0.400 . 1 . . . A 48 THR CB . 19921 1 598 . 1 1 59 59 THR CG2 C 13 20.59 0.400 . 1 . . . A 48 THR CG2 . 19921 1 599 . 1 1 59 59 THR N N 15 113.72 0.400 . 1 . . . A 48 THR N . 19921 1 600 . 1 1 60 60 VAL H H 1 9.59 0.025 . 1 . . . A 49 VAL H . 19921 1 601 . 1 1 60 60 VAL HA H 1 4.68 0.025 . 1 . . . A 49 VAL HA . 19921 1 602 . 1 1 60 60 VAL HB H 1 1.99 0.025 . 1 . . . A 49 VAL HB . 19921 1 603 . 1 1 60 60 VAL HG11 H 1 0.79 0.025 . 2 . . . A 49 VAL HG11 . 19921 1 604 . 1 1 60 60 VAL HG12 H 1 0.79 0.025 . 2 . . . A 49 VAL HG12 . 19921 1 605 . 1 1 60 60 VAL HG13 H 1 0.79 0.025 . 2 . . . A 49 VAL HG13 . 19921 1 606 . 1 1 60 60 VAL HG21 H 1 0.8 0.025 . 2 . . . A 49 VAL HG21 . 19921 1 607 . 1 1 60 60 VAL HG22 H 1 0.8 0.025 . 2 . . . A 49 VAL HG22 . 19921 1 608 . 1 1 60 60 VAL HG23 H 1 0.8 0.025 . 2 . . . A 49 VAL HG23 . 19921 1 609 . 1 1 60 60 VAL CA C 13 60.93 0.400 . 1 . . . A 49 VAL CA . 19921 1 610 . 1 1 60 60 VAL CB C 13 34.31 0.400 . 1 . . . A 49 VAL CB . 19921 1 611 . 1 1 60 60 VAL CG1 C 13 20.35 0.400 . 2 . . . A 49 VAL CG1 . 19921 1 612 . 1 1 60 60 VAL CG2 C 13 20.89 0.400 . 2 . . . A 49 VAL CG2 . 19921 1 613 . 1 1 60 60 VAL N N 15 126.12 0.400 . 1 . . . A 49 VAL N . 19921 1 614 . 1 1 61 61 LYS H H 1 9.13 0.025 . 1 . . . A 50 LYS H . 19921 1 615 . 1 1 61 61 LYS HA H 1 4.86 0.025 . 1 . . . A 50 LYS HA . 19921 1 616 . 1 1 61 61 LYS HB2 H 1 1.93 0.025 . 1 . . . A 50 LYS HB2 . 19921 1 617 . 1 1 61 61 LYS HB3 H 1 1.74 0.025 . 1 . . . A 50 LYS HB3 . 19921 1 618 . 1 1 61 61 LYS HG2 H 1 1.4 0.025 . 1 . . . A 50 LYS HG2 . 19921 1 619 . 1 1 61 61 LYS HG3 H 1 1.25 0.025 . 1 . . . A 50 LYS HG3 . 19921 1 620 . 1 1 61 61 LYS CA C 13 55.14 0.400 . 1 . . . A 50 LYS CA . 19921 1 621 . 1 1 61 61 LYS CB C 13 32.41 0.400 . 1 . . . A 50 LYS CB . 19921 1 622 . 1 1 61 61 LYS CG C 13 24.93 0.400 . 1 . . . A 50 LYS CG . 19921 1 623 . 1 1 61 61 LYS N N 15 125.61 0.400 . 1 . . . A 50 LYS N . 19921 1 624 . 1 1 62 62 GLU H H 1 9.04 0.025 . 1 . . . A 51 GLU H . 19921 1 625 . 1 1 62 62 GLU HA H 1 4.89 0.025 . 1 . . . A 51 GLU HA . 19921 1 626 . 1 1 62 62 GLU HB2 H 1 1.94 0.025 . 1 . . . A 51 GLU HB2 . 19921 1 627 . 1 1 62 62 GLU HB3 H 1 2.04 0.025 . 1 . . . A 51 GLU HB3 . 19921 1 628 . 1 1 62 62 GLU HG2 H 1 1.86 0.025 . 1 . . . A 51 GLU HG2 . 19921 1 629 . 1 1 62 62 GLU HG3 H 1 2.26 0.025 . 1 . . . A 51 GLU HG3 . 19921 1 630 . 1 1 62 62 GLU CA C 13 55.13 0.400 . 1 . . . A 51 GLU CA . 19921 1 631 . 1 1 62 62 GLU CB C 13 31.68 0.400 . 1 . . . A 51 GLU CB . 19921 1 632 . 1 1 62 62 GLU CG C 13 35.97 0.400 . 1 . . . A 51 GLU CG . 19921 1 633 . 1 1 62 62 GLU N N 15 128.61 0.400 . 1 . . . A 51 GLU N . 19921 1 634 . 1 1 63 63 SER H H 1 8.98 0.025 . 1 . . . A 52 SER H . 19921 1 635 . 1 1 63 63 SER HA H 1 5.48 0.025 . 1 . . . A 52 SER HA . 19921 1 636 . 1 1 63 63 SER HB2 H 1 3.86 0.025 . 1 . . . A 52 SER HB2 . 19921 1 637 . 1 1 63 63 SER HB3 H 1 3.79 0.025 . 1 . . . A 52 SER HB3 . 19921 1 638 . 1 1 63 63 SER CA C 13 56.04 0.400 . 1 . . . A 52 SER CA . 19921 1 639 . 1 1 63 63 SER CB C 13 64.85 0.400 . 1 . . . A 52 SER CB . 19921 1 640 . 1 1 63 63 SER N N 15 120.19 0.400 . 1 . . . A 52 SER N . 19921 1 641 . 1 1 64 64 SER H H 1 9.11 0.025 . 1 . . . A 53 SER H . 19921 1 642 . 1 1 64 64 SER HA H 1 4.93 0.025 . 1 . . . A 53 SER HA . 19921 1 643 . 1 1 64 64 SER HB2 H 1 4.27 0.025 . 1 . . . A 53 SER HB2 . 19921 1 644 . 1 1 64 64 SER HB3 H 1 4.09 0.025 . 1 . . . A 53 SER HB3 . 19921 1 645 . 1 1 64 64 SER CA C 13 56.57 0.400 . 1 . . . A 53 SER CA . 19921 1 646 . 1 1 64 64 SER CB C 13 68.03 0.400 . 1 . . . A 53 SER CB . 19921 1 647 . 1 1 64 64 SER N N 15 119.49 0.400 . 1 . . . A 53 SER N . 19921 1 648 . 1 1 65 65 ALA H H 1 9.16 0.025 . 1 . . . A 54 ALA H . 19921 1 649 . 1 1 65 65 ALA HA H 1 4.01 0.025 . 1 . . . A 54 ALA HA . 19921 1 650 . 1 1 65 65 ALA HB1 H 1 1 0.025 . 1 . . . A 54 ALA HB1 . 19921 1 651 . 1 1 65 65 ALA HB2 H 1 1 0.025 . 1 . . . A 54 ALA HB2 . 19921 1 652 . 1 1 65 65 ALA HB3 H 1 1 0.025 . 1 . . . A 54 ALA HB3 . 19921 1 653 . 1 1 65 65 ALA CA C 13 53.4 0.400 . 1 . . . A 54 ALA CA . 19921 1 654 . 1 1 65 65 ALA CB C 13 18.67 0.400 . 1 . . . A 54 ALA CB . 19921 1 655 . 1 1 65 65 ALA N N 15 117.94 0.400 . 1 . . . A 54 ALA N . 19921 1 656 . 1 1 66 66 PHE H H 1 8.09 0.025 . 1 . . . A 55 PHE H . 19921 1 657 . 1 1 66 66 PHE HA H 1 4.4 0.025 . 1 . . . A 55 PHE HA . 19921 1 658 . 1 1 66 66 PHE HB2 H 1 3.2 0.025 . 1 . . . A 55 PHE HB2 . 19921 1 659 . 1 1 66 66 PHE HB3 H 1 2.61 0.025 . 1 . . . A 55 PHE HB3 . 19921 1 660 . 1 1 66 66 PHE HD1 H 1 7.2 0.025 . 1 . . . A 55 PHE HD1 . 19921 1 661 . 1 1 66 66 PHE HD2 H 1 7.2 0.025 . 1 . . . A 55 PHE HD2 . 19921 1 662 . 1 1 66 66 PHE HE1 H 1 7.25 0.025 . 1 . . . A 55 PHE HE1 . 19921 1 663 . 1 1 66 66 PHE HE2 H 1 7.25 0.025 . 1 . . . A 55 PHE HE2 . 19921 1 664 . 1 1 66 66 PHE HZ H 1 7.05 0.025 . 1 . . . A 55 PHE HZ . 19921 1 665 . 1 1 66 66 PHE CA C 13 59.28 0.400 . 1 . . . A 55 PHE CA . 19921 1 666 . 1 1 66 66 PHE CB C 13 40.64 0.400 . 1 . . . A 55 PHE CB . 19921 1 667 . 1 1 66 66 PHE CD1 C 13 131.41 0.400 . 1 . . . A 55 PHE CD1 . 19921 1 668 . 1 1 66 66 PHE CD2 C 13 131.41 0.400 . 1 . . . A 55 PHE CD2 . 19921 1 669 . 1 1 66 66 PHE CE1 C 13 130.7 0.400 . 1 . . . A 55 PHE CE1 . 19921 1 670 . 1 1 66 66 PHE CZ C 13 128.75 0.400 . 1 . . . A 55 PHE CZ . 19921 1 671 . 1 1 66 66 PHE N N 15 109.93 0.400 . 1 . . . A 55 PHE N . 19921 1 672 . 1 1 67 67 ARG H H 1 7.41 0.025 . 1 . . . A 56 ARG H . 19921 1 673 . 1 1 67 67 ARG HA H 1 4.62 0.025 . 1 . . . A 56 ARG HA . 19921 1 674 . 1 1 67 67 ARG HB2 H 1 2.16 0.025 . 1 . . . A 56 ARG HB2 . 19921 1 675 . 1 1 67 67 ARG HB3 H 1 1.68 0.025 . 1 . . . A 56 ARG HB3 . 19921 1 676 . 1 1 67 67 ARG HG2 H 1 1.5 0.025 . 1 . . . A 56 ARG HG2 . 19921 1 677 . 1 1 67 67 ARG HG3 H 1 1.17 0.025 . 1 . . . A 56 ARG HG3 . 19921 1 678 . 1 1 67 67 ARG HD2 H 1 2.88 0.025 . 1 . . . A 56 ARG HD2 . 19921 1 679 . 1 1 67 67 ARG HD3 H 1 2.88 0.025 . 1 . . . A 56 ARG HD3 . 19921 1 680 . 1 1 67 67 ARG HE H 1 6.56 0.025 . 1 . . . A 56 ARG HE . 19921 1 681 . 1 1 67 67 ARG CA C 13 55.29 0.400 . 1 . . . A 56 ARG CA . 19921 1 682 . 1 1 67 67 ARG CB C 13 30.11 0.400 . 1 . . . A 56 ARG CB . 19921 1 683 . 1 1 67 67 ARG CG C 13 24.22 0.400 . 1 . . . A 56 ARG CG . 19921 1 684 . 1 1 67 67 ARG CD C 13 43.88 0.400 . 1 . . . A 56 ARG CD . 19921 1 685 . 1 1 67 67 ARG N N 15 110.65 0.400 . 1 . . . A 56 ARG N . 19921 1 686 . 1 1 67 67 ARG NE N 15 81.62 0.400 . 1 . . . A 56 ARG NE . 19921 1 687 . 1 1 68 68 ASN H H 1 8.4 0.025 . 1 . . . A 57 ASN H . 19921 1 688 . 1 1 68 68 ASN HA H 1 5.88 0.025 . 1 . . . A 57 ASN HA . 19921 1 689 . 1 1 68 68 ASN HB2 H 1 2.72 0.025 . 1 . . . A 57 ASN HB2 . 19921 1 690 . 1 1 68 68 ASN HB3 H 1 2.72 0.025 . 1 . . . A 57 ASN HB3 . 19921 1 691 . 1 1 68 68 ASN HD21 H 1 6.71 0.025 . 1 . . . A 57 ASN HD21 . 19921 1 692 . 1 1 68 68 ASN HD22 H 1 7.32 0.025 . 1 . . . A 57 ASN HD22 . 19921 1 693 . 1 1 68 68 ASN CA C 13 52.51 0.400 . 1 . . . A 57 ASN CA . 19921 1 694 . 1 1 68 68 ASN CB C 13 40.59 0.400 . 1 . . . A 57 ASN CB . 19921 1 695 . 1 1 68 68 ASN N N 15 116.56 0.400 . 1 . . . A 57 ASN N . 19921 1 696 . 1 1 68 68 ASN ND2 N 15 109.81 0.400 . 1 . . . A 57 ASN ND2 . 19921 1 697 . 1 1 69 69 ILE H H 1 8.93 0.025 . 1 . . . A 58 ILE H . 19921 1 698 . 1 1 69 69 ILE HA H 1 4.84 0.025 . 1 . . . A 58 ILE HA . 19921 1 699 . 1 1 69 69 ILE HB H 1 1.89 0.025 . 1 . . . A 58 ILE HB . 19921 1 700 . 1 1 69 69 ILE HG21 H 1 0.84 0.025 . 1 . . . A 58 ILE HG21 . 19921 1 701 . 1 1 69 69 ILE HG22 H 1 0.84 0.025 . 1 . . . A 58 ILE HG22 . 19921 1 702 . 1 1 69 69 ILE HG23 H 1 0.84 0.025 . 1 . . . A 58 ILE HG23 . 19921 1 703 . 1 1 69 69 ILE HD11 H 1 0.77 0.025 . 1 . . . A 58 ILE HD11 . 19921 1 704 . 1 1 69 69 ILE HD12 H 1 0.77 0.025 . 1 . . . A 58 ILE HD12 . 19921 1 705 . 1 1 69 69 ILE HD13 H 1 0.77 0.025 . 1 . . . A 58 ILE HD13 . 19921 1 706 . 1 1 69 69 ILE CA C 13 59.42 0.400 . 1 . . . A 58 ILE CA . 19921 1 707 . 1 1 69 69 ILE CB C 13 43.32 0.400 . 1 . . . A 58 ILE CB . 19921 1 708 . 1 1 69 69 ILE CG2 C 13 17.54 0.400 . 1 . . . A 58 ILE CG2 . 19921 1 709 . 1 1 69 69 ILE CD1 C 13 13.67 0.400 . 1 . . . A 58 ILE CD1 . 19921 1 710 . 1 1 69 69 ILE N N 15 115.31 0.400 . 1 . . . A 58 ILE N . 19921 1 711 . 1 1 70 70 GLU H H 1 8.52 0.025 . 1 . . . A 59 GLU H . 19921 1 712 . 1 1 70 70 GLU HA H 1 5.27 0.025 . 1 . . . A 59 GLU HA . 19921 1 713 . 1 1 70 70 GLU HB2 H 1 1.83 0.025 . 1 . . . A 59 GLU HB2 . 19921 1 714 . 1 1 70 70 GLU HB3 H 1 1.83 0.025 . 1 . . . A 59 GLU HB3 . 19921 1 715 . 1 1 70 70 GLU HG2 H 1 1.89 0.025 . 1 . . . A 59 GLU HG2 . 19921 1 716 . 1 1 70 70 GLU HG3 H 1 1.97 0.025 . 1 . . . A 59 GLU HG3 . 19921 1 717 . 1 1 70 70 GLU CA C 13 54.74 0.400 . 1 . . . A 59 GLU CA . 19921 1 718 . 1 1 70 70 GLU CB C 13 32.49 0.400 . 1 . . . A 59 GLU CB . 19921 1 719 . 1 1 70 70 GLU CG C 13 37.05 0.400 . 1 . . . A 59 GLU CG . 19921 1 720 . 1 1 70 70 GLU N N 15 121.66 0.400 . 1 . . . A 59 GLU N . 19921 1 721 . 1 1 71 71 VAL H H 1 9.41 0.025 . 1 . . . A 60 VAL H . 19921 1 722 . 1 1 71 71 VAL HA H 1 4.38 0.025 . 1 . . . A 60 VAL HA . 19921 1 723 . 1 1 71 71 VAL HB H 1 2.15 0.025 . 1 . . . A 60 VAL HB . 19921 1 724 . 1 1 71 71 VAL HG11 H 1 1.13 0.025 . 2 . . . A 60 VAL HG11 . 19921 1 725 . 1 1 71 71 VAL HG12 H 1 1.13 0.025 . 2 . . . A 60 VAL HG12 . 19921 1 726 . 1 1 71 71 VAL HG13 H 1 1.13 0.025 . 2 . . . A 60 VAL HG13 . 19921 1 727 . 1 1 71 71 VAL HG21 H 1 1.17 0.025 . 2 . . . A 60 VAL HG21 . 19921 1 728 . 1 1 71 71 VAL HG22 H 1 1.17 0.025 . 2 . . . A 60 VAL HG22 . 19921 1 729 . 1 1 71 71 VAL HG23 H 1 1.17 0.025 . 2 . . . A 60 VAL HG23 . 19921 1 730 . 1 1 71 71 VAL CA C 13 60.91 0.400 . 1 . . . A 60 VAL CA . 19921 1 731 . 1 1 71 71 VAL CB C 13 34.97 0.400 . 1 . . . A 60 VAL CB . 19921 1 732 . 1 1 71 71 VAL CG1 C 13 21.12 0.400 . 2 . . . A 60 VAL CG1 . 19921 1 733 . 1 1 71 71 VAL CG2 C 13 20.66 0.400 . 2 . . . A 60 VAL CG2 . 19921 1 734 . 1 1 71 71 VAL N N 15 126.24 0.400 . 1 . . . A 60 VAL N . 19921 1 735 . 1 1 72 72 VAL H H 1 8.15 0.025 . 1 . . . A 61 VAL H . 19921 1 736 . 1 1 72 72 VAL HA H 1 5.08 0.025 . 1 . . . A 61 VAL HA . 19921 1 737 . 1 1 72 72 VAL HB H 1 1.8 0.025 . 1 . . . A 61 VAL HB . 19921 1 738 . 1 1 72 72 VAL HG11 H 1 0.87 0.025 . 2 . . . A 61 VAL HG11 . 19921 1 739 . 1 1 72 72 VAL HG12 H 1 0.87 0.025 . 2 . . . A 61 VAL HG12 . 19921 1 740 . 1 1 72 72 VAL HG13 H 1 0.87 0.025 . 2 . . . A 61 VAL HG13 . 19921 1 741 . 1 1 72 72 VAL HG21 H 1 0.74 0.025 . 2 . . . A 61 VAL HG21 . 19921 1 742 . 1 1 72 72 VAL HG22 H 1 0.74 0.025 . 2 . . . A 61 VAL HG22 . 19921 1 743 . 1 1 72 72 VAL HG23 H 1 0.74 0.025 . 2 . . . A 61 VAL HG23 . 19921 1 744 . 1 1 72 72 VAL CA C 13 59.63 0.400 . 1 . . . A 61 VAL CA . 19921 1 745 . 1 1 72 72 VAL CB C 13 34.13 0.400 . 1 . . . A 61 VAL CB . 19921 1 746 . 1 1 72 72 VAL CG1 C 13 20.74 0.400 . 2 . . . A 61 VAL CG1 . 19921 1 747 . 1 1 72 72 VAL CG2 C 13 20.64 0.400 . 2 . . . A 61 VAL CG2 . 19921 1 748 . 1 1 72 72 VAL N N 15 123.83 0.400 . 1 . . . A 61 VAL N . 19921 1 749 . 1 1 73 73 PHE H H 1 8.46 0.025 . 1 . . . A 62 PHE H . 19921 1 750 . 1 1 73 73 PHE HA H 1 4.81 0.025 . 1 . . . A 62 PHE HA . 19921 1 751 . 1 1 73 73 PHE HB2 H 1 2.74 0.025 . 1 . . . A 62 PHE HB2 . 19921 1 752 . 1 1 73 73 PHE HB3 H 1 1.46 0.025 . 1 . . . A 62 PHE HB3 . 19921 1 753 . 1 1 73 73 PHE HD1 H 1 6.83 0.025 . 1 . . . A 62 PHE HD1 . 19921 1 754 . 1 1 73 73 PHE HD2 H 1 6.83 0.025 . 1 . . . A 62 PHE HD2 . 19921 1 755 . 1 1 73 73 PHE HE1 H 1 6.82 0.025 . 1 . . . A 62 PHE HE1 . 19921 1 756 . 1 1 73 73 PHE HE2 H 1 6.82 0.025 . 1 . . . A 62 PHE HE2 . 19921 1 757 . 1 1 73 73 PHE CA C 13 54.99 0.400 . 1 . . . A 62 PHE CA . 19921 1 758 . 1 1 73 73 PHE CB C 13 41.03 0.400 . 1 . . . A 62 PHE CB . 19921 1 759 . 1 1 73 73 PHE CD1 C 13 130.57 0.400 . 1 . . . A 62 PHE CD1 . 19921 1 760 . 1 1 73 73 PHE CE2 C 13 128.76 0.400 . 1 . . . A 62 PHE CE2 . 19921 1 761 . 1 1 73 73 PHE N N 15 120.29 0.400 . 1 . . . A 62 PHE N . 19921 1 762 . 1 1 74 74 GLU H H 1 9.55 0.025 . 1 . . . A 63 GLU H . 19921 1 763 . 1 1 74 74 GLU HA H 1 5.28 0.025 . 1 . . . A 63 GLU HA . 19921 1 764 . 1 1 74 74 GLU HB2 H 1 1.9 0.025 . 1 . . . A 63 GLU HB2 . 19921 1 765 . 1 1 74 74 GLU HB3 H 1 1.78 0.025 . 1 . . . A 63 GLU HB3 . 19921 1 766 . 1 1 74 74 GLU HG2 H 1 2.16 0.025 . 1 . . . A 63 GLU HG2 . 19921 1 767 . 1 1 74 74 GLU HG3 H 1 2.16 0.025 . 1 . . . A 63 GLU HG3 . 19921 1 768 . 1 1 74 74 GLU CA C 13 52.97 0.400 . 1 . . . A 63 GLU CA . 19921 1 769 . 1 1 74 74 GLU CB C 13 32.21 0.400 . 1 . . . A 63 GLU CB . 19921 1 770 . 1 1 74 74 GLU CG C 13 36.17 0.400 . 1 . . . A 63 GLU CG . 19921 1 771 . 1 1 74 74 GLU N N 15 118.73 0.400 . 1 . . . A 63 GLU N . 19921 1 772 . 1 1 75 75 LEU H H 1 8.82 0.025 . 1 . . . A 64 LEU H . 19921 1 773 . 1 1 75 75 LEU HA H 1 4.44 0.025 . 1 . . . A 64 LEU HA . 19921 1 774 . 1 1 75 75 LEU HB2 H 1 1.94 0.025 . 2 . . . A 64 LEU HB2 . 19921 1 775 . 1 1 75 75 LEU HB3 H 1 1.67 0.025 . 2 . . . A 64 LEU HB3 . 19921 1 776 . 1 1 75 75 LEU HG H 1 1.1 0.025 . 1 . . . A 64 LEU HG . 19921 1 777 . 1 1 75 75 LEU HD11 H 1 0.65 0.025 . 2 . . . A 64 LEU HD11 . 19921 1 778 . 1 1 75 75 LEU HD12 H 1 0.65 0.025 . 2 . . . A 64 LEU HD12 . 19921 1 779 . 1 1 75 75 LEU HD13 H 1 0.65 0.025 . 2 . . . A 64 LEU HD13 . 19921 1 780 . 1 1 75 75 LEU HD21 H 1 0.65 0.025 . 2 . . . A 64 LEU HD21 . 19921 1 781 . 1 1 75 75 LEU HD22 H 1 0.65 0.025 . 2 . . . A 64 LEU HD22 . 19921 1 782 . 1 1 75 75 LEU HD23 H 1 0.65 0.025 . 2 . . . A 64 LEU HD23 . 19921 1 783 . 1 1 75 75 LEU CA C 13 56.01 0.400 . 1 . . . A 64 LEU CA . 19921 1 784 . 1 1 75 75 LEU CB C 13 41.01 0.400 . 1 . . . A 64 LEU CB . 19921 1 785 . 1 1 75 75 LEU CG C 13 26.4 0.400 . 1 . . . A 64 LEU CG . 19921 1 786 . 1 1 75 75 LEU CD1 C 13 22.63 0.400 . 2 . . . A 64 LEU CD1 . 19921 1 787 . 1 1 75 75 LEU CD2 C 13 22.63 0.400 . 2 . . . A 64 LEU CD2 . 19921 1 788 . 1 1 75 75 LEU N N 15 123.33 0.400 . 1 . . . A 64 LEU N . 19921 1 789 . 1 1 76 76 GLY H H 1 9.29 0.025 . 1 . . . A 65 GLY H . 19921 1 790 . 1 1 76 76 GLY HA2 H 1 4.22 0.025 . 1 . . . A 65 GLY HA2 . 19921 1 791 . 1 1 76 76 GLY HA3 H 1 3.59 0.025 . 1 . . . A 65 GLY HA3 . 19921 1 792 . 1 1 76 76 GLY CA C 13 45.72 0.400 . 1 . . . A 65 GLY CA . 19921 1 793 . 1 1 76 76 GLY N N 15 107.11 0.400 . 1 . . . A 65 GLY N . 19921 1 794 . 1 1 77 77 VAL H H 1 7.93 0.025 . 1 . . . A 66 VAL H . 19921 1 795 . 1 1 77 77 VAL HA H 1 4.31 0.025 . 1 . . . A 66 VAL HA . 19921 1 796 . 1 1 77 77 VAL HB H 1 2.32 0.025 . 1 . . . A 66 VAL HB . 19921 1 797 . 1 1 77 77 VAL HG11 H 1 1.06 0.025 . 2 . . . A 66 VAL HG11 . 19921 1 798 . 1 1 77 77 VAL HG12 H 1 1.06 0.025 . 2 . . . A 66 VAL HG12 . 19921 1 799 . 1 1 77 77 VAL HG13 H 1 1.06 0.025 . 2 . . . A 66 VAL HG13 . 19921 1 800 . 1 1 77 77 VAL HG21 H 1 0.84 0.025 . 2 . . . A 66 VAL HG21 . 19921 1 801 . 1 1 77 77 VAL HG22 H 1 0.84 0.025 . 2 . . . A 66 VAL HG22 . 19921 1 802 . 1 1 77 77 VAL HG23 H 1 0.84 0.025 . 2 . . . A 66 VAL HG23 . 19921 1 803 . 1 1 77 77 VAL CA C 13 61.88 0.400 . 1 . . . A 66 VAL CA . 19921 1 804 . 1 1 77 77 VAL CB C 13 32.49 0.400 . 1 . . . A 66 VAL CB . 19921 1 805 . 1 1 77 77 VAL CG1 C 13 20.9 0.400 . 2 . . . A 66 VAL CG1 . 19921 1 806 . 1 1 77 77 VAL CG2 C 13 20.74 0.400 . 2 . . . A 66 VAL CG2 . 19921 1 807 . 1 1 77 77 VAL N N 15 120.77 0.400 . 1 . . . A 66 VAL N . 19921 1 808 . 1 1 78 78 THR H H 1 8.74 0.025 . 1 . . . A 67 THR H . 19921 1 809 . 1 1 78 78 THR HA H 1 4.26 0.025 . 1 . . . A 67 THR HA . 19921 1 810 . 1 1 78 78 THR HB H 1 3.83 0.025 . 1 . . . A 67 THR HB . 19921 1 811 . 1 1 78 78 THR HG21 H 1 1.04 0.025 . 1 . . . A 67 THR HG21 . 19921 1 812 . 1 1 78 78 THR HG22 H 1 1.04 0.025 . 1 . . . A 67 THR HG22 . 19921 1 813 . 1 1 78 78 THR HG23 H 1 1.04 0.025 . 1 . . . A 67 THR HG23 . 19921 1 814 . 1 1 78 78 THR CA C 13 63.8 0.400 . 1 . . . A 67 THR CA . 19921 1 815 . 1 1 78 78 THR CB C 13 68.54 0.400 . 1 . . . A 67 THR CB . 19921 1 816 . 1 1 78 78 THR CG2 C 13 22.23 0.400 . 1 . . . A 67 THR CG2 . 19921 1 817 . 1 1 78 78 THR N N 15 128.11 0.400 . 1 . . . A 67 THR N . 19921 1 818 . 1 1 79 79 PHE H H 1 9.51 0.025 . 1 . . . A 68 PHE H . 19921 1 819 . 1 1 79 79 PHE HA H 1 5.06 0.025 . 1 . . . A 68 PHE HA . 19921 1 820 . 1 1 79 79 PHE HB2 H 1 3.33 0.025 . 1 . . . A 68 PHE HB2 . 19921 1 821 . 1 1 79 79 PHE HB3 H 1 3.44 0.025 . 1 . . . A 68 PHE HB3 . 19921 1 822 . 1 1 79 79 PHE HD1 H 1 7.58 0.025 . 1 . . . A 68 PHE HD1 . 19921 1 823 . 1 1 79 79 PHE HD2 H 1 7.58 0.025 . 1 . . . A 68 PHE HD2 . 19921 1 824 . 1 1 79 79 PHE HE1 H 1 6.96 0.025 . 1 . . . A 68 PHE HE1 . 19921 1 825 . 1 1 79 79 PHE HE2 H 1 6.96 0.025 . 1 . . . A 68 PHE HE2 . 19921 1 826 . 1 1 79 79 PHE CA C 13 55.5 0.400 . 1 . . . A 68 PHE CA . 19921 1 827 . 1 1 79 79 PHE CB C 13 41.7 0.400 . 1 . . . A 68 PHE CB . 19921 1 828 . 1 1 79 79 PHE CD1 C 13 133.5 0.400 . 1 . . . A 68 PHE CD1 . 19921 1 829 . 1 1 79 79 PHE CD2 C 13 133.49 0.400 . 1 . . . A 68 PHE CD2 . 19921 1 830 . 1 1 79 79 PHE CE1 C 13 129.84 0.400 . 1 . . . A 68 PHE CE1 . 19921 1 831 . 1 1 79 79 PHE CE2 C 13 129.84 0.400 . 1 . . . A 68 PHE CE2 . 19921 1 832 . 1 1 79 79 PHE N N 15 124.07 0.400 . 1 . . . A 68 PHE N . 19921 1 833 . 1 1 80 80 ASN H H 1 8.38 0.025 . 1 . . . A 69 ASN H . 19921 1 834 . 1 1 80 80 ASN HA H 1 5.59 0.025 . 1 . . . A 69 ASN HA . 19921 1 835 . 1 1 80 80 ASN HB2 H 1 2.7 0.025 . 1 . . . A 69 ASN HB2 . 19921 1 836 . 1 1 80 80 ASN HB3 H 1 2.7 0.025 . 1 . . . A 69 ASN HB3 . 19921 1 837 . 1 1 80 80 ASN HD21 H 1 6.85 0.025 . 1 . . . A 69 ASN HD21 . 19921 1 838 . 1 1 80 80 ASN HD22 H 1 7.54 0.025 . 1 . . . A 69 ASN HD22 . 19921 1 839 . 1 1 80 80 ASN CA C 13 51.21 0.400 . 1 . . . A 69 ASN CA . 19921 1 840 . 1 1 80 80 ASN CB C 13 40.31 0.400 . 1 . . . A 69 ASN CB . 19921 1 841 . 1 1 80 80 ASN N N 15 114.95 0.400 . 1 . . . A 69 ASN N . 19921 1 842 . 1 1 80 80 ASN ND2 N 15 111.82 0.400 . 1 . . . A 69 ASN ND2 . 19921 1 843 . 1 1 81 81 TYR H H 1 8.84 0.025 . 1 . . . A 70 TYR H . 19921 1 844 . 1 1 81 81 TYR HA H 1 4.58 0.025 . 1 . . . A 70 TYR HA . 19921 1 845 . 1 1 81 81 TYR HB2 H 1 3.03 0.025 . 1 . . . A 70 TYR HB2 . 19921 1 846 . 1 1 81 81 TYR HB3 H 1 2.01 0.025 . 1 . . . A 70 TYR HB3 . 19921 1 847 . 1 1 81 81 TYR HD1 H 1 6.75 0.025 . 1 . . . A 70 TYR HD1 . 19921 1 848 . 1 1 81 81 TYR HD2 H 1 6.75 0.025 . 1 . . . A 70 TYR HD2 . 19921 1 849 . 1 1 81 81 TYR HE1 H 1 6.49 0.025 . 1 . . . A 70 TYR HE1 . 19921 1 850 . 1 1 81 81 TYR HE2 H 1 6.49 0.025 . 1 . . . A 70 TYR HE2 . 19921 1 851 . 1 1 81 81 TYR CA C 13 57.05 0.400 . 1 . . . A 70 TYR CA . 19921 1 852 . 1 1 81 81 TYR CB C 13 42.92 0.400 . 1 . . . A 70 TYR CB . 19921 1 853 . 1 1 81 81 TYR CD1 C 13 132.88 0.400 . 1 . . . A 70 TYR CD1 . 19921 1 854 . 1 1 81 81 TYR CD2 C 13 132.88 0.400 . 1 . . . A 70 TYR CD2 . 19921 1 855 . 1 1 81 81 TYR CE1 C 13 117.95 0.400 . 1 . . . A 70 TYR CE1 . 19921 1 856 . 1 1 81 81 TYR CE2 C 13 117.95 0.400 . 1 . . . A 70 TYR CE2 . 19921 1 857 . 1 1 81 81 TYR N N 15 121.35 0.400 . 1 . . . A 70 TYR N . 19921 1 858 . 1 1 82 82 ASN H H 1 7.7 0.025 . 1 . . . A 71 ASN H . 19921 1 859 . 1 1 82 82 ASN HA H 1 5.3 0.025 . 1 . . . A 71 ASN HA . 19921 1 860 . 1 1 82 82 ASN HB2 H 1 2.1 0.025 . 1 . . . A 71 ASN HB2 . 19921 1 861 . 1 1 82 82 ASN HB3 H 1 2.18 0.025 . 1 . . . A 71 ASN HB3 . 19921 1 862 . 1 1 82 82 ASN HD21 H 1 6.82 0.025 . 1 . . . A 71 ASN HD21 . 19921 1 863 . 1 1 82 82 ASN HD22 H 1 6.94 0.025 . 1 . . . A 71 ASN HD22 . 19921 1 864 . 1 1 82 82 ASN CA C 13 50.69 0.400 . 1 . . . A 71 ASN CA . 19921 1 865 . 1 1 82 82 ASN CB C 13 39.71 0.400 . 1 . . . A 71 ASN CB . 19921 1 866 . 1 1 82 82 ASN N N 15 122.38 0.400 . 1 . . . A 71 ASN N . 19921 1 867 . 1 1 82 82 ASN ND2 N 15 109.13 0.400 . 1 . . . A 71 ASN ND2 . 19921 1 868 . 1 1 83 83 LEU H H 1 8.94 0.025 . 1 . . . A 72 LEU H . 19921 1 869 . 1 1 83 83 LEU HA H 1 3.92 0.025 . 1 . . . A 72 LEU HA . 19921 1 870 . 1 1 83 83 LEU HB2 H 1 1.32 0.025 . 2 . . . A 72 LEU HB2 . 19921 1 871 . 1 1 83 83 LEU HB3 H 1 2.01 0.025 . 2 . . . A 72 LEU HB3 . 19921 1 872 . 1 1 83 83 LEU HG H 1 1.55 0.025 . 1 . . . A 72 LEU HG . 19921 1 873 . 1 1 83 83 LEU HD11 H 1 0.58 0.025 . 2 . . . A 72 LEU HD11 . 19921 1 874 . 1 1 83 83 LEU HD12 H 1 0.58 0.025 . 2 . . . A 72 LEU HD12 . 19921 1 875 . 1 1 83 83 LEU HD13 H 1 0.58 0.025 . 2 . . . A 72 LEU HD13 . 19921 1 876 . 1 1 83 83 LEU HD21 H 1 0.78 0.025 . 2 . . . A 72 LEU HD21 . 19921 1 877 . 1 1 83 83 LEU HD22 H 1 0.78 0.025 . 2 . . . A 72 LEU HD22 . 19921 1 878 . 1 1 83 83 LEU HD23 H 1 0.78 0.025 . 2 . . . A 72 LEU HD23 . 19921 1 879 . 1 1 83 83 LEU CA C 13 53.87 0.400 . 1 . . . A 72 LEU CA . 19921 1 880 . 1 1 83 83 LEU CB C 13 42.43 0.400 . 1 . . . A 72 LEU CB . 19921 1 881 . 1 1 83 83 LEU CG C 13 27.08 0.400 . 1 . . . A 72 LEU CG . 19921 1 882 . 1 1 83 83 LEU CD1 C 13 24.66 0.400 . 2 . . . A 72 LEU CD1 . 19921 1 883 . 1 1 83 83 LEU CD2 C 13 23.74 0.400 . 2 . . . A 72 LEU CD2 . 19921 1 884 . 1 1 83 83 LEU N N 15 119.67 0.400 . 1 . . . A 72 LEU N . 19921 1 885 . 1 1 84 84 ALA H H 1 8.99 0.025 . 1 . . . A 73 ALA H . 19921 1 886 . 1 1 84 84 ALA HA H 1 3.65 0.025 . 1 . . . A 73 ALA HA . 19921 1 887 . 1 1 84 84 ALA HB1 H 1 0.75 0.025 . 1 . . . A 73 ALA HB1 . 19921 1 888 . 1 1 84 84 ALA HB2 H 1 0.75 0.025 . 1 . . . A 73 ALA HB2 . 19921 1 889 . 1 1 84 84 ALA HB3 H 1 0.75 0.025 . 1 . . . A 73 ALA HB3 . 19921 1 890 . 1 1 84 84 ALA CA C 13 53.88 0.400 . 1 . . . A 73 ALA CA . 19921 1 891 . 1 1 84 84 ALA CB C 13 17.18 0.400 . 1 . . . A 73 ALA CB . 19921 1 892 . 1 1 84 84 ALA N N 15 119.96 0.400 . 1 . . . A 73 ALA N . 19921 1 893 . 1 1 85 85 ASP H H 1 7.02 0.025 . 1 . . . A 74 ASP H . 19921 1 894 . 1 1 85 85 ASP HA H 1 4.26 0.025 . 1 . . . A 74 ASP HA . 19921 1 895 . 1 1 85 85 ASP HB2 H 1 2.89 0.025 . 1 . . . A 74 ASP HB2 . 19921 1 896 . 1 1 85 85 ASP HB3 H 1 1.91 0.025 . 1 . . . A 74 ASP HB3 . 19921 1 897 . 1 1 85 85 ASP CA C 13 52.38 0.400 . 1 . . . A 74 ASP CA . 19921 1 898 . 1 1 85 85 ASP CB C 13 39.78 0.400 . 1 . . . A 74 ASP CB . 19921 1 899 . 1 1 85 85 ASP N N 15 111.54 0.400 . 1 . . . A 74 ASP N . 19921 1 900 . 1 1 86 86 GLY H H 1 7.84 0.025 . 1 . . . A 75 GLY H . 19921 1 901 . 1 1 86 86 GLY HA2 H 1 4.24 0.025 . 1 . . . A 75 GLY HA2 . 19921 1 902 . 1 1 86 86 GLY HA3 H 1 3.37 0.025 . 1 . . . A 75 GLY HA3 . 19921 1 903 . 1 1 86 86 GLY CA C 13 44.45 0.400 . 1 . . . A 75 GLY CA . 19921 1 904 . 1 1 86 86 GLY N N 15 107 0.400 . 1 . . . A 75 GLY N . 19921 1 905 . 1 1 87 87 THR H H 1 7.68 0.025 . 1 . . . A 76 THR H . 19921 1 906 . 1 1 87 87 THR HA H 1 3.65 0.025 . 1 . . . A 76 THR HA . 19921 1 907 . 1 1 87 87 THR HB H 1 3.78 0.025 . 1 . . . A 76 THR HB . 19921 1 908 . 1 1 87 87 THR HG21 H 1 0.89 0.025 . 1 . . . A 76 THR HG21 . 19921 1 909 . 1 1 87 87 THR HG22 H 1 0.89 0.025 . 1 . . . A 76 THR HG22 . 19921 1 910 . 1 1 87 87 THR HG23 H 1 0.89 0.025 . 1 . . . A 76 THR HG23 . 19921 1 911 . 1 1 87 87 THR CA C 13 64.55 0.400 . 1 . . . A 76 THR CA . 19921 1 912 . 1 1 87 87 THR CB C 13 67.61 0.400 . 1 . . . A 76 THR CB . 19921 1 913 . 1 1 87 87 THR CG2 C 13 20.46 0.400 . 1 . . . A 76 THR CG2 . 19921 1 914 . 1 1 87 87 THR N N 15 117.96 0.400 . 1 . . . A 76 THR N . 19921 1 915 . 1 1 88 88 GLU H H 1 8.64 0.025 . 1 . . . A 77 GLU H . 19921 1 916 . 1 1 88 88 GLU HA H 1 4.56 0.025 . 1 . . . A 77 GLU HA . 19921 1 917 . 1 1 88 88 GLU HB2 H 1 1.8 0.025 . 1 . . . A 77 GLU HB2 . 19921 1 918 . 1 1 88 88 GLU HB3 H 1 2.07 0.025 . 1 . . . A 77 GLU HB3 . 19921 1 919 . 1 1 88 88 GLU HG2 H 1 1.99 0.025 . 1 . . . A 77 GLU HG2 . 19921 1 920 . 1 1 88 88 GLU HG3 H 1 2.06 0.025 . 1 . . . A 77 GLU HG3 . 19921 1 921 . 1 1 88 88 GLU CA C 13 56.57 0.400 . 1 . . . A 77 GLU CA . 19921 1 922 . 1 1 88 88 GLU CB C 13 31.15 0.400 . 1 . . . A 77 GLU CB . 19921 1 923 . 1 1 88 88 GLU CG C 13 36.89 0.400 . 1 . . . A 77 GLU CG . 19921 1 924 . 1 1 88 88 GLU N N 15 128 0.400 . 1 . . . A 77 GLU N . 19921 1 925 . 1 1 89 89 LEU H H 1 9.22 0.025 . 1 . . . A 78 LEU H . 19921 1 926 . 1 1 89 89 LEU HA H 1 5.25 0.025 . 1 . . . A 78 LEU HA . 19921 1 927 . 1 1 89 89 LEU HB2 H 1 1.67 0.025 . 2 . . . A 78 LEU HB2 . 19921 1 928 . 1 1 89 89 LEU HB3 H 1 1.19 0.025 . 2 . . . A 78 LEU HB3 . 19921 1 929 . 1 1 89 89 LEU HG H 1 1.49 0.025 . 1 . . . A 78 LEU HG . 19921 1 930 . 1 1 89 89 LEU HD11 H 1 0.57 0.025 . 2 . . . A 78 LEU HD11 . 19921 1 931 . 1 1 89 89 LEU HD12 H 1 0.57 0.025 . 2 . . . A 78 LEU HD12 . 19921 1 932 . 1 1 89 89 LEU HD13 H 1 0.57 0.025 . 2 . . . A 78 LEU HD13 . 19921 1 933 . 1 1 89 89 LEU HD21 H 1 0.45 0.025 . 2 . . . A 78 LEU HD21 . 19921 1 934 . 1 1 89 89 LEU HD22 H 1 0.45 0.025 . 2 . . . A 78 LEU HD22 . 19921 1 935 . 1 1 89 89 LEU HD23 H 1 0.45 0.025 . 2 . . . A 78 LEU HD23 . 19921 1 936 . 1 1 89 89 LEU CA C 13 52.49 0.400 . 1 . . . A 78 LEU CA . 19921 1 937 . 1 1 89 89 LEU CB C 13 46.07 0.400 . 1 . . . A 78 LEU CB . 19921 1 938 . 1 1 89 89 LEU CG C 13 27.16 0.400 . 1 . . . A 78 LEU CG . 19921 1 939 . 1 1 89 89 LEU CD1 C 13 24.24 0.400 . 2 . . . A 78 LEU CD1 . 19921 1 940 . 1 1 89 89 LEU CD2 C 13 26.95 0.400 . 2 . . . A 78 LEU CD2 . 19921 1 941 . 1 1 89 89 LEU N N 15 123.76 0.400 . 1 . . . A 78 LEU N . 19921 1 942 . 1 1 90 90 ARG H H 1 8.41 0.025 . 1 . . . A 79 ARG H . 19921 1 943 . 1 1 90 90 ARG HA H 1 5.32 0.025 . 1 . . . A 79 ARG HA . 19921 1 944 . 1 1 90 90 ARG HB2 H 1 1.46 0.025 . 1 . . . A 79 ARG HB2 . 19921 1 945 . 1 1 90 90 ARG HB3 H 1 1.46 0.025 . 1 . . . A 79 ARG HB3 . 19921 1 946 . 1 1 90 90 ARG HG2 H 1 1.43 0.025 . 1 . . . A 79 ARG HG2 . 19921 1 947 . 1 1 90 90 ARG HG3 H 1 1.17 0.025 . 1 . . . A 79 ARG HG3 . 19921 1 948 . 1 1 90 90 ARG HD2 H 1 2.97 0.025 . 1 . . . A 79 ARG HD2 . 19921 1 949 . 1 1 90 90 ARG HD3 H 1 3.08 0.025 . 1 . . . A 79 ARG HD3 . 19921 1 950 . 1 1 90 90 ARG HE H 1 7.15 0.025 . 1 . . . A 79 ARG HE . 19921 1 951 . 1 1 90 90 ARG CA C 13 54.12 0.400 . 1 . . . A 79 ARG CA . 19921 1 952 . 1 1 90 90 ARG CB C 13 33.52 0.400 . 1 . . . A 79 ARG CB . 19921 1 953 . 1 1 90 90 ARG CG C 13 27.46 0.400 . 1 . . . A 79 ARG CG . 19921 1 954 . 1 1 90 90 ARG CD C 13 43.33 0.400 . 1 . . . A 79 ARG CD . 19921 1 955 . 1 1 90 90 ARG N N 15 117.19 0.400 . 1 . . . A 79 ARG N . 19921 1 956 . 1 1 90 90 ARG NE N 15 83.93 0.400 . 1 . . . A 79 ARG NE . 19921 1 957 . 1 1 91 91 GLY H H 1 8.82 0.025 . 1 . . . A 80 GLY H . 19921 1 958 . 1 1 91 91 GLY HA2 H 1 4.04 0.025 . 1 . . . A 80 GLY HA2 . 19921 1 959 . 1 1 91 91 GLY HA3 H 1 3.76 0.025 . 1 . . . A 80 GLY HA3 . 19921 1 960 . 1 1 91 91 GLY CA C 13 46.62 0.400 . 1 . . . A 80 GLY CA . 19921 1 961 . 1 1 91 91 GLY N N 15 113.35 0.400 . 1 . . . A 80 GLY N . 19921 1 962 . 1 1 92 92 THR H H 1 6.71 0.025 . 1 . . . A 81 THR H . 19921 1 963 . 1 1 92 92 THR HA H 1 4.51 0.025 . 1 . . . A 81 THR HA . 19921 1 964 . 1 1 92 92 THR HB H 1 3.65 0.025 . 1 . . . A 81 THR HB . 19921 1 965 . 1 1 92 92 THR HG21 H 1 0.81 0.025 . 1 . . . A 81 THR HG21 . 19921 1 966 . 1 1 92 92 THR HG22 H 1 0.81 0.025 . 1 . . . A 81 THR HG22 . 19921 1 967 . 1 1 92 92 THR HG23 H 1 0.81 0.025 . 1 . . . A 81 THR HG23 . 19921 1 968 . 1 1 92 92 THR CA C 13 58.69 0.400 . 1 . . . A 81 THR CA . 19921 1 969 . 1 1 92 92 THR CB C 13 72.56 0.400 . 1 . . . A 81 THR CB . 19921 1 970 . 1 1 92 92 THR CG2 C 13 21.42 0.400 . 1 . . . A 81 THR CG2 . 19921 1 971 . 1 1 92 92 THR N N 15 104.25 0.400 . 1 . . . A 81 THR N . 19921 1 972 . 1 1 93 93 TRP H H 1 9.08 0.025 . 1 . . . A 82 TRP H . 19921 1 973 . 1 1 93 93 TRP HA H 1 5.27 0.025 . 1 . . . A 82 TRP HA . 19921 1 974 . 1 1 93 93 TRP HB2 H 1 2.4 0.025 . 1 . . . A 82 TRP HB2 . 19921 1 975 . 1 1 93 93 TRP HB3 H 1 2.4 0.025 . 1 . . . A 82 TRP HB3 . 19921 1 976 . 1 1 93 93 TRP HD1 H 1 6.8 0.025 . 1 . . . A 82 TRP HD1 . 19921 1 977 . 1 1 93 93 TRP HE1 H 1 10.04 0.025 . 1 . . . A 82 TRP HE1 . 19921 1 978 . 1 1 93 93 TRP HE3 H 1 6.96 0.025 . 1 . . . A 82 TRP HE3 . 19921 1 979 . 1 1 93 93 TRP HZ2 H 1 6.68 0.025 . 1 . . . A 82 TRP HZ2 . 19921 1 980 . 1 1 93 93 TRP HZ3 H 1 6.64 0.025 . 1 . . . A 82 TRP HZ3 . 19921 1 981 . 1 1 93 93 TRP HH2 H 1 6.47 0.025 . 1 . . . A 82 TRP HH2 . 19921 1 982 . 1 1 93 93 TRP CA C 13 55.49 0.400 . 1 . . . A 82 TRP CA . 19921 1 983 . 1 1 93 93 TRP CB C 13 33.88 0.400 . 1 . . . A 82 TRP CB . 19921 1 984 . 1 1 93 93 TRP CD1 C 13 128.59 0.400 . 1 . . . A 82 TRP CD1 . 19921 1 985 . 1 1 93 93 TRP CE3 C 13 120.65 0.400 . 1 . . . A 82 TRP CE3 . 19921 1 986 . 1 1 93 93 TRP CZ2 C 13 113.32 0.400 . 1 . . . A 82 TRP CZ2 . 19921 1 987 . 1 1 93 93 TRP CZ3 C 13 120.76 0.400 . 1 . . . A 82 TRP CZ3 . 19921 1 988 . 1 1 93 93 TRP CH2 C 13 122.36 0.400 . 1 . . . A 82 TRP CH2 . 19921 1 989 . 1 1 93 93 TRP N N 15 118.87 0.400 . 1 . . . A 82 TRP N . 19921 1 990 . 1 1 93 93 TRP NE1 N 15 128.68 0.400 . 1 . . . A 82 TRP NE1 . 19921 1 991 . 1 1 94 94 SER H H 1 9.01 0.025 . 1 . . . A 83 SER H . 19921 1 992 . 1 1 94 94 SER HA H 1 4.7 0.025 . 1 . . . A 83 SER HA . 19921 1 993 . 1 1 94 94 SER HB2 H 1 3.79 0.025 . 1 . . . A 83 SER HB2 . 19921 1 994 . 1 1 94 94 SER HB3 H 1 3.65 0.025 . 1 . . . A 83 SER HB3 . 19921 1 995 . 1 1 94 94 SER CA C 13 57.22 0.400 . 1 . . . A 83 SER CA . 19921 1 996 . 1 1 94 94 SER CB C 13 65.42 0.400 . 1 . . . A 83 SER CB . 19921 1 997 . 1 1 94 94 SER N N 15 113.7 0.400 . 1 . . . A 83 SER N . 19921 1 998 . 1 1 95 95 LEU H H 1 8.9 0.025 . 1 . . . A 84 LEU H . 19921 1 999 . 1 1 95 95 LEU HA H 1 5.12 0.025 . 1 . . . A 84 LEU HA . 19921 1 1000 . 1 1 95 95 LEU HB2 H 1 1.8 0.025 . 2 . . . A 84 LEU HB2 . 19921 1 1001 . 1 1 95 95 LEU HB3 H 1 1.28 0.025 . 2 . . . A 84 LEU HB3 . 19921 1 1002 . 1 1 95 95 LEU HD11 H 1 0.8 0.025 . 2 . . . A 84 LEU HD11 . 19921 1 1003 . 1 1 95 95 LEU HD12 H 1 0.8 0.025 . 2 . . . A 84 LEU HD12 . 19921 1 1004 . 1 1 95 95 LEU HD13 H 1 0.8 0.025 . 2 . . . A 84 LEU HD13 . 19921 1 1005 . 1 1 95 95 LEU HD21 H 1 0.88 0.025 . 2 . . . A 84 LEU HD21 . 19921 1 1006 . 1 1 95 95 LEU HD22 H 1 0.88 0.025 . 2 . . . A 84 LEU HD22 . 19921 1 1007 . 1 1 95 95 LEU HD23 H 1 0.88 0.025 . 2 . . . A 84 LEU HD23 . 19921 1 1008 . 1 1 95 95 LEU CA C 13 54.09 0.400 . 1 . . . A 84 LEU CA . 19921 1 1009 . 1 1 95 95 LEU CB C 13 44.69 0.400 . 1 . . . A 84 LEU CB . 19921 1 1010 . 1 1 95 95 LEU CD1 C 13 23.89 0.400 . 2 . . . A 84 LEU CD1 . 19921 1 1011 . 1 1 95 95 LEU CD2 C 13 25.62 0.400 . 2 . . . A 84 LEU CD2 . 19921 1 1012 . 1 1 95 95 LEU N N 15 124.08 0.400 . 1 . . . A 84 LEU N . 19921 1 1013 . 1 1 96 96 GLU H H 1 8.92 0.025 . 1 . . . A 85 GLU H . 19921 1 1014 . 1 1 96 96 GLU HA H 1 4.54 0.025 . 1 . . . A 85 GLU HA . 19921 1 1015 . 1 1 96 96 GLU HB2 H 1 1.9 0.025 . 1 . . . A 85 GLU HB2 . 19921 1 1016 . 1 1 96 96 GLU HB3 H 1 1.76 0.025 . 1 . . . A 85 GLU HB3 . 19921 1 1017 . 1 1 96 96 GLU HG2 H 1 2.07 0.025 . 1 . . . A 85 GLU HG2 . 19921 1 1018 . 1 1 96 96 GLU HG3 H 1 2.07 0.025 . 1 . . . A 85 GLU HG3 . 19921 1 1019 . 1 1 96 96 GLU CA C 13 54.77 0.400 . 1 . . . A 85 GLU CA . 19921 1 1020 . 1 1 96 96 GLU CB C 13 30.93 0.400 . 1 . . . A 85 GLU CB . 19921 1 1021 . 1 1 96 96 GLU CG C 13 35.51 0.400 . 1 . . . A 85 GLU CG . 19921 1 1022 . 1 1 96 96 GLU N N 15 126.19 0.400 . 1 . . . A 85 GLU N . 19921 1 1023 . 1 1 97 97 GLY H H 1 9.01 0.025 . 1 . . . A 86 GLY H . 19921 1 1024 . 1 1 97 97 GLY HA2 H 1 3.9 0.025 . 1 . . . A 86 GLY HA2 . 19921 1 1025 . 1 1 97 97 GLY HA3 H 1 3.6 0.025 . 1 . . . A 86 GLY HA3 . 19921 1 1026 . 1 1 97 97 GLY CA C 13 47.38 0.400 . 1 . . . A 86 GLY CA . 19921 1 1027 . 1 1 97 97 GLY N N 15 115.8 0.400 . 1 . . . A 86 GLY N . 19921 1 1028 . 1 1 98 98 ASN H H 1 8.71 0.025 . 1 . . . A 87 ASN H . 19921 1 1029 . 1 1 98 98 ASN HA H 1 4.76 0.025 . 1 . . . A 87 ASN HA . 19921 1 1030 . 1 1 98 98 ASN HB2 H 1 2.89 0.025 . 1 . . . A 87 ASN HB2 . 19921 1 1031 . 1 1 98 98 ASN HB3 H 1 2.79 0.025 . 1 . . . A 87 ASN HB3 . 19921 1 1032 . 1 1 98 98 ASN HD21 H 1 6.85 0.025 . 1 . . . A 87 ASN HD21 . 19921 1 1033 . 1 1 98 98 ASN HD22 H 1 7.51 0.025 . 1 . . . A 87 ASN HD22 . 19921 1 1034 . 1 1 98 98 ASN CA C 13 52.42 0.400 . 1 . . . A 87 ASN CA . 19921 1 1035 . 1 1 98 98 ASN CB C 13 38.53 0.400 . 1 . . . A 87 ASN CB . 19921 1 1036 . 1 1 98 98 ASN N N 15 121.24 0.400 . 1 . . . A 87 ASN N . 19921 1 1037 . 1 1 98 98 ASN ND2 N 15 110.75 0.400 . 1 . . . A 87 ASN ND2 . 19921 1 1038 . 1 1 99 99 LYS H H 1 7.95 0.025 . 1 . . . A 88 LYS H . 19921 1 1039 . 1 1 99 99 LYS HA H 1 4.92 0.025 . 1 . . . A 88 LYS HA . 19921 1 1040 . 1 1 99 99 LYS HB2 H 1 1.62 0.025 . 1 . . . A 88 LYS HB2 . 19921 1 1041 . 1 1 99 99 LYS HB3 H 1 1.85 0.025 . 1 . . . A 88 LYS HB3 . 19921 1 1042 . 1 1 99 99 LYS CA C 13 55.18 0.400 . 1 . . . A 88 LYS CA . 19921 1 1043 . 1 1 99 99 LYS CB C 13 35.58 0.400 . 1 . . . A 88 LYS CB . 19921 1 1044 . 1 1 99 99 LYS N N 15 116.79 0.400 . 1 . . . A 88 LYS N . 19921 1 1045 . 1 1 100 100 LEU H H 1 8.42 0.025 . 1 . . . A 89 LEU H . 19921 1 1046 . 1 1 100 100 LEU HA H 1 4.92 0.025 . 1 . . . A 89 LEU HA . 19921 1 1047 . 1 1 100 100 LEU HB2 H 1 0.97 0.025 . 2 . . . A 89 LEU HB2 . 19921 1 1048 . 1 1 100 100 LEU HB3 H 1 0.72 0.025 . 2 . . . A 89 LEU HB3 . 19921 1 1049 . 1 1 100 100 LEU HG H 1 0.82 0.025 . 1 . . . A 89 LEU HG . 19921 1 1050 . 1 1 100 100 LEU HD11 H 1 -0.65 0.025 . 2 . . . A 89 LEU HD11 . 19921 1 1051 . 1 1 100 100 LEU HD12 H 1 -0.65 0.025 . 2 . . . A 89 LEU HD12 . 19921 1 1052 . 1 1 100 100 LEU HD13 H 1 -0.65 0.025 . 2 . . . A 89 LEU HD13 . 19921 1 1053 . 1 1 100 100 LEU HD21 H 1 -0.32 0.025 . 2 . . . A 89 LEU HD21 . 19921 1 1054 . 1 1 100 100 LEU HD22 H 1 -0.32 0.025 . 2 . . . A 89 LEU HD22 . 19921 1 1055 . 1 1 100 100 LEU HD23 H 1 -0.32 0.025 . 2 . . . A 89 LEU HD23 . 19921 1 1056 . 1 1 100 100 LEU CA C 13 52.93 0.400 . 1 . . . A 89 LEU CA . 19921 1 1057 . 1 1 100 100 LEU CB C 13 43.69 0.400 . 1 . . . A 89 LEU CB . 19921 1 1058 . 1 1 100 100 LEU CG C 13 26.54 0.400 . 1 . . . A 89 LEU CG . 19921 1 1059 . 1 1 100 100 LEU CD1 C 13 23.41 0.400 . 2 . . . A 89 LEU CD1 . 19921 1 1060 . 1 1 100 100 LEU CD2 C 13 23.35 0.400 . 2 . . . A 89 LEU CD2 . 19921 1 1061 . 1 1 100 100 LEU N N 15 121.45 0.400 . 1 . . . A 89 LEU N . 19921 1 1062 . 1 1 101 101 ILE H H 1 9.56 0.025 . 1 . . . A 90 ILE H . 19921 1 1063 . 1 1 101 101 ILE HA H 1 4.59 0.025 . 1 . . . A 90 ILE HA . 19921 1 1064 . 1 1 101 101 ILE HB H 1 1.92 0.025 . 1 . . . A 90 ILE HB . 19921 1 1065 . 1 1 101 101 ILE HG12 H 1 1.32 0.025 . 1 . . . A 90 ILE HG12 . 19921 1 1066 . 1 1 101 101 ILE HG13 H 1 1.39 0.025 . 1 . . . A 90 ILE HG13 . 19921 1 1067 . 1 1 101 101 ILE HG21 H 1 0.78 0.025 . 1 . . . A 90 ILE HG21 . 19921 1 1068 . 1 1 101 101 ILE HG22 H 1 0.78 0.025 . 1 . . . A 90 ILE HG22 . 19921 1 1069 . 1 1 101 101 ILE HG23 H 1 0.78 0.025 . 1 . . . A 90 ILE HG23 . 19921 1 1070 . 1 1 101 101 ILE HD11 H 1 0.76 0.025 . 1 . . . A 90 ILE HD11 . 19921 1 1071 . 1 1 101 101 ILE HD12 H 1 0.76 0.025 . 1 . . . A 90 ILE HD12 . 19921 1 1072 . 1 1 101 101 ILE HD13 H 1 0.76 0.025 . 1 . . . A 90 ILE HD13 . 19921 1 1073 . 1 1 101 101 ILE CA C 13 59.41 0.400 . 1 . . . A 90 ILE CA . 19921 1 1074 . 1 1 101 101 ILE CB C 13 38.11 0.400 . 1 . . . A 90 ILE CB . 19921 1 1075 . 1 1 101 101 ILE CG1 C 13 26.84 0.400 . 1 . . . A 90 ILE CG1 . 19921 1 1076 . 1 1 101 101 ILE CG2 C 13 17.45 0.400 . 1 . . . A 90 ILE CG2 . 19921 1 1077 . 1 1 101 101 ILE CD1 C 13 11.85 0.400 . 1 . . . A 90 ILE CD1 . 19921 1 1078 . 1 1 101 101 ILE N N 15 123.3 0.400 . 1 . . . A 90 ILE N . 19921 1 1079 . 1 1 102 102 GLY H H 1 9.74 0.025 . 1 . . . A 91 GLY H . 19921 1 1080 . 1 1 102 102 GLY HA2 H 1 4.63 0.025 . 1 . . . A 91 GLY HA2 . 19921 1 1081 . 1 1 102 102 GLY HA3 H 1 2.22 0.025 . 1 . . . A 91 GLY HA3 . 19921 1 1082 . 1 1 102 102 GLY CA C 13 44.47 0.400 . 1 . . . A 91 GLY CA . 19921 1 1083 . 1 1 102 102 GLY N N 15 120.12 0.400 . 1 . . . A 91 GLY N . 19921 1 1084 . 1 1 103 103 LYS H H 1 7.72 0.025 . 1 . . . A 92 LYS H . 19921 1 1085 . 1 1 103 103 LYS HA H 1 4.68 0.025 . 1 . . . A 92 LYS HA . 19921 1 1086 . 1 1 103 103 LYS HB2 H 1 1.44 0.025 . 1 . . . A 92 LYS HB2 . 19921 1 1087 . 1 1 103 103 LYS HB3 H 1 1.33 0.025 . 1 . . . A 92 LYS HB3 . 19921 1 1088 . 1 1 103 103 LYS HG2 H 1 1.08 0.025 . 1 . . . A 92 LYS HG2 . 19921 1 1089 . 1 1 103 103 LYS HG3 H 1 1.14 0.025 . 1 . . . A 92 LYS HG3 . 19921 1 1090 . 1 1 103 103 LYS CA C 13 55.06 0.400 . 1 . . . A 92 LYS CA . 19921 1 1091 . 1 1 103 103 LYS CB C 13 33.35 0.400 . 1 . . . A 92 LYS CB . 19921 1 1092 . 1 1 103 103 LYS CG C 13 23.89 0.400 . 1 . . . A 92 LYS CG . 19921 1 1093 . 1 1 103 103 LYS N N 15 126.12 0.400 . 1 . . . A 92 LYS N . 19921 1 1094 . 1 1 104 104 PHE H H 1 8.29 0.025 . 1 . . . A 93 PHE H . 19921 1 1095 . 1 1 104 104 PHE HA H 1 4.99 0.025 . 1 . . . A 93 PHE HA . 19921 1 1096 . 1 1 104 104 PHE HB2 H 1 2.87 0.025 . 1 . . . A 93 PHE HB2 . 19921 1 1097 . 1 1 104 104 PHE HB3 H 1 2.55 0.025 . 1 . . . A 93 PHE HB3 . 19921 1 1098 . 1 1 104 104 PHE HD1 H 1 6.22 0.025 . 1 . . . A 93 PHE HD1 . 19921 1 1099 . 1 1 104 104 PHE HD2 H 1 6.22 0.025 . 1 . . . A 93 PHE HD2 . 19921 1 1100 . 1 1 104 104 PHE CA C 13 55.45 0.400 . 1 . . . A 93 PHE CA . 19921 1 1101 . 1 1 104 104 PHE CB C 13 43.65 0.400 . 1 . . . A 93 PHE CB . 19921 1 1102 . 1 1 104 104 PHE CD1 C 13 130 0.400 . 1 . . . A 93 PHE CD1 . 19921 1 1103 . 1 1 104 104 PHE CD2 C 13 130 0.400 . 1 . . . A 93 PHE CD2 . 19921 1 1104 . 1 1 104 104 PHE CE2 C 13 129.9 0.400 . 1 . . . A 93 PHE CE2 . 19921 1 1105 . 1 1 104 104 PHE N N 15 120.95 0.400 . 1 . . . A 93 PHE N . 19921 1 1106 . 1 1 105 105 LYS H H 1 8.77 0.025 . 1 . . . A 94 LYS H . 19921 1 1107 . 1 1 105 105 LYS HA H 1 4.98 0.025 . 1 . . . A 94 LYS HA . 19921 1 1108 . 1 1 105 105 LYS HB2 H 1 1.51 0.025 . 1 . . . A 94 LYS HB2 . 19921 1 1109 . 1 1 105 105 LYS HB3 H 1 1.51 0.025 . 1 . . . A 94 LYS HB3 . 19921 1 1110 . 1 1 105 105 LYS HG2 H 1 1.2 0.025 . 1 . . . A 94 LYS HG2 . 19921 1 1111 . 1 1 105 105 LYS HG3 H 1 1.25 0.025 . 1 . . . A 94 LYS HG3 . 19921 1 1112 . 1 1 105 105 LYS CA C 13 54.66 0.400 . 1 . . . A 94 LYS CA . 19921 1 1113 . 1 1 105 105 LYS CB C 13 36.03 0.400 . 1 . . . A 94 LYS CB . 19921 1 1114 . 1 1 105 105 LYS CG C 13 25.03 0.400 . 1 . . . A 94 LYS CG . 19921 1 1115 . 1 1 105 105 LYS CD C 13 29.19 0.400 . 1 . . . A 94 LYS CD . 19921 1 1116 . 1 1 105 105 LYS N N 15 118.49 0.400 . 1 . . . A 94 LYS N . 19921 1 1117 . 1 1 106 106 ARG H H 1 8.66 0.025 . 1 . . . A 95 ARG H . 19921 1 1118 . 1 1 106 106 ARG HA H 1 4.71 0.025 . 1 . . . A 95 ARG HA . 19921 1 1119 . 1 1 106 106 ARG HB2 H 1 2.03 0.025 . 1 . . . A 95 ARG HB2 . 19921 1 1120 . 1 1 106 106 ARG HB3 H 1 2.5 0.025 . 1 . . . A 95 ARG HB3 . 19921 1 1121 . 1 1 106 106 ARG HG2 H 1 1.21 0.025 . 1 . . . A 95 ARG HG2 . 19921 1 1122 . 1 1 106 106 ARG HG3 H 1 1.68 0.025 . 1 . . . A 95 ARG HG3 . 19921 1 1123 . 1 1 106 106 ARG HD2 H 1 3.56 0.025 . 1 . . . A 95 ARG HD2 . 19921 1 1124 . 1 1 106 106 ARG HD3 H 1 2.78 0.025 . 1 . . . A 95 ARG HD3 . 19921 1 1125 . 1 1 106 106 ARG HE H 1 9.01 0.025 . 1 . . . A 95 ARG HE . 19921 1 1126 . 1 1 106 106 ARG CA C 13 55.87 0.400 . 1 . . . A 95 ARG CA . 19921 1 1127 . 1 1 106 106 ARG CB C 13 31.26 0.400 . 1 . . . A 95 ARG CB . 19921 1 1128 . 1 1 106 106 ARG CG C 13 28.1 0.400 . 1 . . . A 95 ARG CG . 19921 1 1129 . 1 1 106 106 ARG CD C 13 44.33 0.400 . 1 . . . A 95 ARG CD . 19921 1 1130 . 1 1 106 106 ARG N N 15 121.24 0.400 . 1 . . . A 95 ARG N . 19921 1 1131 . 1 1 106 106 ARG NE N 15 85.01 0.400 . 1 . . . A 95 ARG NE . 19921 1 1132 . 1 1 107 107 THR H H 1 8.43 0.025 . 1 . . . A 96 THR H . 19921 1 1133 . 1 1 107 107 THR HA H 1 4 0.025 . 1 . . . A 96 THR HA . 19921 1 1134 . 1 1 107 107 THR HB H 1 4.22 0.025 . 1 . . . A 96 THR HB . 19921 1 1135 . 1 1 107 107 THR HG21 H 1 1.05 0.025 . 1 . . . A 96 THR HG21 . 19921 1 1136 . 1 1 107 107 THR HG22 H 1 1.05 0.025 . 1 . . . A 96 THR HG22 . 19921 1 1137 . 1 1 107 107 THR HG23 H 1 1.05 0.025 . 1 . . . A 96 THR HG23 . 19921 1 1138 . 1 1 107 107 THR CA C 13 63.56 0.400 . 1 . . . A 96 THR CA . 19921 1 1139 . 1 1 107 107 THR CB C 13 67.77 0.400 . 1 . . . A 96 THR CB . 19921 1 1140 . 1 1 107 107 THR CG2 C 13 22.14 0.400 . 1 . . . A 96 THR CG2 . 19921 1 1141 . 1 1 107 107 THR N N 15 115.94 0.400 . 1 . . . A 96 THR N . 19921 1 1142 . 1 1 108 108 ASP H H 1 9 0.025 . 1 . . . A 97 ASP H . 19921 1 1143 . 1 1 108 108 ASP HA H 1 4.23 0.025 . 1 . . . A 97 ASP HA . 19921 1 1144 . 1 1 108 108 ASP HB2 H 1 2.78 0.025 . 1 . . . A 97 ASP HB2 . 19921 1 1145 . 1 1 108 108 ASP HB3 H 1 2.66 0.025 . 1 . . . A 97 ASP HB3 . 19921 1 1146 . 1 1 108 108 ASP CA C 13 55.52 0.400 . 1 . . . A 97 ASP CA . 19921 1 1147 . 1 1 108 108 ASP CB C 13 38.36 0.400 . 1 . . . A 97 ASP CB . 19921 1 1148 . 1 1 108 108 ASP N N 15 119.67 0.400 . 1 . . . A 97 ASP N . 19921 1 1149 . 1 1 109 109 ASN H H 1 8.58 0.025 . 1 . . . A 98 ASN H . 19921 1 1150 . 1 1 109 109 ASN HA H 1 4.68 0.025 . 1 . . . A 98 ASN HA . 19921 1 1151 . 1 1 109 109 ASN HB2 H 1 3.03 0.025 . 1 . . . A 98 ASN HB2 . 19921 1 1152 . 1 1 109 109 ASN HB3 H 1 2.53 0.025 . 1 . . . A 98 ASN HB3 . 19921 1 1153 . 1 1 109 109 ASN HD21 H 1 5.47 0.025 . 1 . . . A 98 ASN HD21 . 19921 1 1154 . 1 1 109 109 ASN HD22 H 1 7.54 0.025 . 1 . . . A 98 ASN HD22 . 19921 1 1155 . 1 1 109 109 ASN CA C 13 51.22 0.400 . 1 . . . A 98 ASN CA . 19921 1 1156 . 1 1 109 109 ASN CB C 13 38.98 0.400 . 1 . . . A 98 ASN CB . 19921 1 1157 . 1 1 109 109 ASN N N 15 114.99 0.400 . 1 . . . A 98 ASN N . 19921 1 1158 . 1 1 109 109 ASN ND2 N 15 104.94 0.400 . 1 . . . A 98 ASN ND2 . 19921 1 1159 . 1 1 110 110 GLY H H 1 7.73 0.025 . 1 . . . A 99 GLY H . 19921 1 1160 . 1 1 110 110 GLY HA2 H 1 4.06 0.025 . 1 . . . A 99 GLY HA2 . 19921 1 1161 . 1 1 110 110 GLY HA3 H 1 3.81 0.025 . 1 . . . A 99 GLY HA3 . 19921 1 1162 . 1 1 110 110 GLY CA C 13 45.88 0.400 . 1 . . . A 99 GLY CA . 19921 1 1163 . 1 1 110 110 GLY N N 15 106.8 0.400 . 1 . . . A 99 GLY N . 19921 1 1164 . 1 1 111 111 ASN H H 1 8.38 0.025 . 1 . . . A 100 ASN H . 19921 1 1165 . 1 1 111 111 ASN HA H 1 4.63 0.025 . 1 . . . A 100 ASN HA . 19921 1 1166 . 1 1 111 111 ASN HB2 H 1 2.98 0.025 . 1 . . . A 100 ASN HB2 . 19921 1 1167 . 1 1 111 111 ASN HB3 H 1 2.58 0.025 . 1 . . . A 100 ASN HB3 . 19921 1 1168 . 1 1 111 111 ASN HD21 H 1 6.69 0.025 . 1 . . . A 100 ASN HD21 . 19921 1 1169 . 1 1 111 111 ASN HD22 H 1 6.49 0.025 . 1 . . . A 100 ASN HD22 . 19921 1 1170 . 1 1 111 111 ASN CA C 13 52.45 0.400 . 1 . . . A 100 ASN CA . 19921 1 1171 . 1 1 111 111 ASN CB C 13 38.95 0.400 . 1 . . . A 100 ASN CB . 19921 1 1172 . 1 1 111 111 ASN N N 15 117.65 0.400 . 1 . . . A 100 ASN N . 19921 1 1173 . 1 1 111 111 ASN ND2 N 15 106.1 0.400 . 1 . . . A 100 ASN ND2 . 19921 1 1174 . 1 1 112 112 GLU H H 1 8.65 0.025 . 1 . . . A 101 GLU H . 19921 1 1175 . 1 1 112 112 GLU HA H 1 4.69 0.025 . 1 . . . A 101 GLU HA . 19921 1 1176 . 1 1 112 112 GLU HB2 H 1 1.96 0.025 . 1 . . . A 101 GLU HB2 . 19921 1 1177 . 1 1 112 112 GLU HB3 H 1 1.96 0.025 . 1 . . . A 101 GLU HB3 . 19921 1 1178 . 1 1 112 112 GLU HG2 H 1 2.33 0.025 . 1 . . . A 101 GLU HG2 . 19921 1 1179 . 1 1 112 112 GLU HG3 H 1 2.16 0.025 . 1 . . . A 101 GLU HG3 . 19921 1 1180 . 1 1 112 112 GLU CA C 13 56.42 0.400 . 1 . . . A 101 GLU CA . 19921 1 1181 . 1 1 112 112 GLU CB C 13 31.47 0.400 . 1 . . . A 101 GLU CB . 19921 1 1182 . 1 1 112 112 GLU CG C 13 36.83 0.400 . 1 . . . A 101 GLU CG . 19921 1 1183 . 1 1 112 112 GLU N N 15 118.04 0.400 . 1 . . . A 101 GLU N . 19921 1 1184 . 1 1 113 113 LEU H H 1 8.88 0.025 . 1 . . . A 102 LEU H . 19921 1 1185 . 1 1 113 113 LEU HA H 1 5.08 0.025 . 1 . . . A 102 LEU HA . 19921 1 1186 . 1 1 113 113 LEU HB2 H 1 1.4 0.025 . 2 . . . A 102 LEU HB2 . 19921 1 1187 . 1 1 113 113 LEU HB3 H 1 1.58 0.025 . 2 . . . A 102 LEU HB3 . 19921 1 1188 . 1 1 113 113 LEU HG H 1 1.77 0.025 . 1 . . . A 102 LEU HG . 19921 1 1189 . 1 1 113 113 LEU HD11 H 1 0.86 0.025 . 2 . . . A 102 LEU HD11 . 19921 1 1190 . 1 1 113 113 LEU HD12 H 1 0.86 0.025 . 2 . . . A 102 LEU HD12 . 19921 1 1191 . 1 1 113 113 LEU HD13 H 1 0.86 0.025 . 2 . . . A 102 LEU HD13 . 19921 1 1192 . 1 1 113 113 LEU HD21 H 1 0.73 0.025 . 2 . . . A 102 LEU HD21 . 19921 1 1193 . 1 1 113 113 LEU HD22 H 1 0.73 0.025 . 2 . . . A 102 LEU HD22 . 19921 1 1194 . 1 1 113 113 LEU HD23 H 1 0.73 0.025 . 2 . . . A 102 LEU HD23 . 19921 1 1195 . 1 1 113 113 LEU CA C 13 54.98 0.400 . 1 . . . A 102 LEU CA . 19921 1 1196 . 1 1 113 113 LEU CB C 13 45.41 0.400 . 1 . . . A 102 LEU CB . 19921 1 1197 . 1 1 113 113 LEU CG C 13 28.76 0.400 . 1 . . . A 102 LEU CG . 19921 1 1198 . 1 1 113 113 LEU CD1 C 13 26.57 0.400 . 2 . . . A 102 LEU CD1 . 19921 1 1199 . 1 1 113 113 LEU CD2 C 13 25.03 0.400 . 2 . . . A 102 LEU CD2 . 19921 1 1200 . 1 1 113 113 LEU N N 15 123.95 0.400 . 1 . . . A 102 LEU N . 19921 1 1201 . 1 1 114 114 ASN H H 1 8.44 0.025 . 1 . . . A 103 ASN H . 19921 1 1202 . 1 1 114 114 ASN HA H 1 5.58 0.025 . 1 . . . A 103 ASN HA . 19921 1 1203 . 1 1 114 114 ASN HB2 H 1 2.81 0.025 . 1 . . . A 103 ASN HB2 . 19921 1 1204 . 1 1 114 114 ASN HB3 H 1 2.48 0.025 . 1 . . . A 103 ASN HB3 . 19921 1 1205 . 1 1 114 114 ASN HD21 H 1 7.33 0.025 . 1 . . . A 103 ASN HD21 . 19921 1 1206 . 1 1 114 114 ASN HD22 H 1 7.48 0.025 . 1 . . . A 103 ASN HD22 . 19921 1 1207 . 1 1 114 114 ASN CA C 13 51.68 0.400 . 1 . . . A 103 ASN CA . 19921 1 1208 . 1 1 114 114 ASN CB C 13 41.72 0.400 . 1 . . . A 103 ASN CB . 19921 1 1209 . 1 1 114 114 ASN N N 15 121.95 0.400 . 1 . . . A 103 ASN N . 19921 1 1210 . 1 1 114 114 ASN ND2 N 15 111.96 0.400 . 1 . . . A 103 ASN ND2 . 19921 1 1211 . 1 1 115 115 THR H H 1 8.99 0.025 . 1 . . . A 104 THR H . 19921 1 1212 . 1 1 115 115 THR HA H 1 5.56 0.025 . 1 . . . A 104 THR HA . 19921 1 1213 . 1 1 115 115 THR HB H 1 3.98 0.025 . 1 . . . A 104 THR HB . 19921 1 1214 . 1 1 115 115 THR HG21 H 1 0.69 0.025 . 1 . . . A 104 THR HG21 . 19921 1 1215 . 1 1 115 115 THR HG22 H 1 0.69 0.025 . 1 . . . A 104 THR HG22 . 19921 1 1216 . 1 1 115 115 THR HG23 H 1 0.69 0.025 . 1 . . . A 104 THR HG23 . 19921 1 1217 . 1 1 115 115 THR CA C 13 57.86 0.400 . 1 . . . A 104 THR CA . 19921 1 1218 . 1 1 115 115 THR CB C 13 69.97 0.400 . 1 . . . A 104 THR CB . 19921 1 1219 . 1 1 115 115 THR CG2 C 13 19.56 0.400 . 1 . . . A 104 THR CG2 . 19921 1 1220 . 1 1 115 115 THR N N 15 115.34 0.400 . 1 . . . A 104 THR N . 19921 1 1221 . 1 1 116 116 VAL H H 1 8.08 0.025 . 1 . . . A 105 VAL H . 19921 1 1222 . 1 1 116 116 VAL HA H 1 5.34 0.025 . 1 . . . A 105 VAL HA . 19921 1 1223 . 1 1 116 116 VAL HB H 1 1.92 0.025 . 1 . . . A 105 VAL HB . 19921 1 1224 . 1 1 116 116 VAL HG11 H 1 0.92 0.025 . 2 . . . A 105 VAL HG11 . 19921 1 1225 . 1 1 116 116 VAL HG12 H 1 0.92 0.025 . 2 . . . A 105 VAL HG12 . 19921 1 1226 . 1 1 116 116 VAL HG13 H 1 0.92 0.025 . 2 . . . A 105 VAL HG13 . 19921 1 1227 . 1 1 116 116 VAL HG21 H 1 0.89 0.025 . 2 . . . A 105 VAL HG21 . 19921 1 1228 . 1 1 116 116 VAL HG22 H 1 0.89 0.025 . 2 . . . A 105 VAL HG22 . 19921 1 1229 . 1 1 116 116 VAL HG23 H 1 0.89 0.025 . 2 . . . A 105 VAL HG23 . 19921 1 1230 . 1 1 116 116 VAL CA C 13 60.35 0.400 . 1 . . . A 105 VAL CA . 19921 1 1231 . 1 1 116 116 VAL CB C 13 36.33 0.400 . 1 . . . A 105 VAL CB . 19921 1 1232 . 1 1 116 116 VAL CG1 C 13 21.6 0.400 . 2 . . . A 105 VAL CG1 . 19921 1 1233 . 1 1 116 116 VAL CG2 C 13 21.48 0.400 . 2 . . . A 105 VAL CG2 . 19921 1 1234 . 1 1 116 116 VAL N N 15 125.55 0.400 . 1 . . . A 105 VAL N . 19921 1 1235 . 1 1 117 117 ARG H H 1 9.42 0.025 . 1 . . . A 106 ARG H . 19921 1 1236 . 1 1 117 117 ARG HA H 1 5.01 0.025 . 1 . . . A 106 ARG HA . 19921 1 1237 . 1 1 117 117 ARG HB2 H 1 1.17 0.025 . 1 . . . A 106 ARG HB2 . 19921 1 1238 . 1 1 117 117 ARG HB3 H 1 1.17 0.025 . 1 . . . A 106 ARG HB3 . 19921 1 1239 . 1 1 117 117 ARG HG2 H 1 0.92 0.025 . 1 . . . A 106 ARG HG2 . 19921 1 1240 . 1 1 117 117 ARG HG3 H 1 1.34 0.025 . 1 . . . A 106 ARG HG3 . 19921 1 1241 . 1 1 117 117 ARG HD2 H 1 1.83 0.025 . 1 . . . A 106 ARG HD2 . 19921 1 1242 . 1 1 117 117 ARG HD3 H 1 1.6 0.025 . 1 . . . A 106 ARG HD3 . 19921 1 1243 . 1 1 117 117 ARG HE H 1 5.83 0.025 . 1 . . . A 106 ARG HE . 19921 1 1244 . 1 1 117 117 ARG CA C 13 54.55 0.400 . 1 . . . A 106 ARG CA . 19921 1 1245 . 1 1 117 117 ARG CB C 13 34.02 0.400 . 1 . . . A 106 ARG CB . 19921 1 1246 . 1 1 117 117 ARG CG C 13 28.29 0.400 . 1 . . . A 106 ARG CG . 19921 1 1247 . 1 1 117 117 ARG CD C 13 41.95 0.400 . 1 . . . A 106 ARG CD . 19921 1 1248 . 1 1 117 117 ARG N N 15 123.07 0.400 . 1 . . . A 106 ARG N . 19921 1 1249 . 1 1 117 117 ARG NE N 15 78.3 0.400 . 1 . . . A 106 ARG NE . 19921 1 1250 . 1 1 118 118 GLU H H 1 8.53 0.025 . 1 . . . A 107 GLU H . 19921 1 1251 . 1 1 118 118 GLU HA H 1 4.85 0.025 . 1 . . . A 107 GLU HA . 19921 1 1252 . 1 1 118 118 GLU HB2 H 1 1.8 0.025 . 1 . . . A 107 GLU HB2 . 19921 1 1253 . 1 1 118 118 GLU HB3 H 1 1.77 0.025 . 1 . . . A 107 GLU HB3 . 19921 1 1254 . 1 1 118 118 GLU HG2 H 1 1.97 0.025 . 1 . . . A 107 GLU HG2 . 19921 1 1255 . 1 1 118 118 GLU HG3 H 1 2.07 0.025 . 1 . . . A 107 GLU HG3 . 19921 1 1256 . 1 1 118 118 GLU CA C 13 54.07 0.400 . 1 . . . A 107 GLU CA . 19921 1 1257 . 1 1 118 118 GLU CB C 13 33.99 0.400 . 1 . . . A 107 GLU CB . 19921 1 1258 . 1 1 118 118 GLU CG C 13 35.21 0.400 . 1 . . . A 107 GLU CG . 19921 1 1259 . 1 1 118 118 GLU N N 15 118.99 0.400 . 1 . . . A 107 GLU N . 19921 1 1260 . 1 1 119 119 ILE H H 1 8.79 0.025 . 1 . . . A 108 ILE H . 19921 1 1261 . 1 1 119 119 ILE HA H 1 4.74 0.025 . 1 . . . A 108 ILE HA . 19921 1 1262 . 1 1 119 119 ILE HB H 1 1.61 0.025 . 1 . . . A 108 ILE HB . 19921 1 1263 . 1 1 119 119 ILE HG12 H 1 0.67 0.025 . 1 . . . A 108 ILE HG12 . 19921 1 1264 . 1 1 119 119 ILE HG13 H 1 0.88 0.025 . 1 . . . A 108 ILE HG13 . 19921 1 1265 . 1 1 119 119 ILE HG21 H 1 0.65 0.025 . 1 . . . A 108 ILE HG21 . 19921 1 1266 . 1 1 119 119 ILE HG22 H 1 0.65 0.025 . 1 . . . A 108 ILE HG22 . 19921 1 1267 . 1 1 119 119 ILE HG23 H 1 0.65 0.025 . 1 . . . A 108 ILE HG23 . 19921 1 1268 . 1 1 119 119 ILE HD11 H 1 0.27 0.025 . 1 . . . A 108 ILE HD11 . 19921 1 1269 . 1 1 119 119 ILE HD12 H 1 0.27 0.025 . 1 . . . A 108 ILE HD12 . 19921 1 1270 . 1 1 119 119 ILE HD13 H 1 0.27 0.025 . 1 . . . A 108 ILE HD13 . 19921 1 1271 . 1 1 119 119 ILE CA C 13 58.55 0.400 . 1 . . . A 108 ILE CA . 19921 1 1272 . 1 1 119 119 ILE CB C 13 36.08 0.400 . 1 . . . A 108 ILE CB . 19921 1 1273 . 1 1 119 119 ILE CG1 C 13 26.5 0.400 . 1 . . . A 108 ILE CG1 . 19921 1 1274 . 1 1 119 119 ILE CG2 C 13 16.73 0.400 . 1 . . . A 108 ILE CG2 . 19921 1 1275 . 1 1 119 119 ILE CD1 C 13 11.8 0.400 . 1 . . . A 108 ILE CD1 . 19921 1 1276 . 1 1 119 119 ILE N N 15 122.85 0.400 . 1 . . . A 108 ILE N . 19921 1 1277 . 1 1 120 120 ILE H H 1 8.83 0.025 . 1 . . . A 109 ILE H . 19921 1 1278 . 1 1 120 120 ILE HA H 1 4.17 0.025 . 1 . . . A 109 ILE HA . 19921 1 1279 . 1 1 120 120 ILE HB H 1 1.64 0.025 . 1 . . . A 109 ILE HB . 19921 1 1280 . 1 1 120 120 ILE HG12 H 1 0.91 0.025 . 1 . . . A 109 ILE HG12 . 19921 1 1281 . 1 1 120 120 ILE HG13 H 1 1.28 0.025 . 1 . . . A 109 ILE HG13 . 19921 1 1282 . 1 1 120 120 ILE HG21 H 1 0.74 0.025 . 1 . . . A 109 ILE HG21 . 19921 1 1283 . 1 1 120 120 ILE HG22 H 1 0.74 0.025 . 1 . . . A 109 ILE HG22 . 19921 1 1284 . 1 1 120 120 ILE HG23 H 1 0.74 0.025 . 1 . . . A 109 ILE HG23 . 19921 1 1285 . 1 1 120 120 ILE HD11 H 1 0.68 0.025 . 1 . . . A 109 ILE HD11 . 19921 1 1286 . 1 1 120 120 ILE HD12 H 1 0.68 0.025 . 1 . . . A 109 ILE HD12 . 19921 1 1287 . 1 1 120 120 ILE HD13 H 1 0.68 0.025 . 1 . . . A 109 ILE HD13 . 19921 1 1288 . 1 1 120 120 ILE CA C 13 60.39 0.400 . 1 . . . A 109 ILE CA . 19921 1 1289 . 1 1 120 120 ILE CB C 13 38.78 0.400 . 1 . . . A 109 ILE CB . 19921 1 1290 . 1 1 120 120 ILE CG1 C 13 26.75 0.400 . 1 . . . A 109 ILE CG1 . 19921 1 1291 . 1 1 120 120 ILE CG2 C 13 16.61 0.400 . 1 . . . A 109 ILE CG2 . 19921 1 1292 . 1 1 120 120 ILE CD1 C 13 12.29 0.400 . 1 . . . A 109 ILE CD1 . 19921 1 1293 . 1 1 120 120 ILE N N 15 128.17 0.400 . 1 . . . A 109 ILE N . 19921 1 1294 . 1 1 121 121 GLY H H 1 9.07 0.025 . 1 . . . A 110 GLY H . 19921 1 1295 . 1 1 121 121 GLY HA2 H 1 3.92 0.025 . 1 . . . A 110 GLY HA2 . 19921 1 1296 . 1 1 121 121 GLY HA3 H 1 3.59 0.025 . 1 . . . A 110 GLY HA3 . 19921 1 1297 . 1 1 121 121 GLY CA C 13 47.16 0.400 . 1 . . . A 110 GLY CA . 19921 1 1298 . 1 1 121 121 GLY N N 15 117.99 0.400 . 1 . . . A 110 GLY N . 19921 1 1299 . 1 1 122 122 ASP H H 1 8.68 0.025 . 1 . . . A 111 ASP H . 19921 1 1300 . 1 1 122 122 ASP HA H 1 4.69 0.025 . 1 . . . A 111 ASP HA . 19921 1 1301 . 1 1 122 122 ASP HB2 H 1 2.83 0.025 . 1 . . . A 111 ASP HB2 . 19921 1 1302 . 1 1 122 122 ASP HB3 H 1 2.72 0.025 . 1 . . . A 111 ASP HB3 . 19921 1 1303 . 1 1 122 122 ASP CA C 13 53.83 0.400 . 1 . . . A 111 ASP CA . 19921 1 1304 . 1 1 122 122 ASP CB C 13 41.2 0.400 . 1 . . . A 111 ASP CB . 19921 1 1305 . 1 1 122 122 ASP N N 15 122.42 0.400 . 1 . . . A 111 ASP N . 19921 1 1306 . 1 1 123 123 GLU H H 1 7.88 0.025 . 1 . . . A 112 GLU H . 19921 1 1307 . 1 1 123 123 GLU HA H 1 5.06 0.025 . 1 . . . A 112 GLU HA . 19921 1 1308 . 1 1 123 123 GLU HB2 H 1 1.92 0.025 . 1 . . . A 112 GLU HB2 . 19921 1 1309 . 1 1 123 123 GLU HB3 H 1 1.97 0.025 . 1 . . . A 112 GLU HB3 . 19921 1 1310 . 1 1 123 123 GLU HG2 H 1 2.43 0.025 . 1 . . . A 112 GLU HG2 . 19921 1 1311 . 1 1 123 123 GLU HG3 H 1 2.16 0.025 . 1 . . . A 112 GLU HG3 . 19921 1 1312 . 1 1 123 123 GLU CA C 13 54.96 0.400 . 1 . . . A 112 GLU CA . 19921 1 1313 . 1 1 123 123 GLU CB C 13 32.75 0.400 . 1 . . . A 112 GLU CB . 19921 1 1314 . 1 1 123 123 GLU CG C 13 36.95 0.400 . 1 . . . A 112 GLU CG . 19921 1 1315 . 1 1 123 123 GLU N N 15 116.94 0.400 . 1 . . . A 112 GLU N . 19921 1 1316 . 1 1 124 124 LEU H H 1 7.82 0.025 . 1 . . . A 113 LEU H . 19921 1 1317 . 1 1 124 124 LEU HA H 1 4.3 0.025 . 1 . . . A 113 LEU HA . 19921 1 1318 . 1 1 124 124 LEU HB2 H 1 0.6 0.025 . 2 . . . A 113 LEU HB2 . 19921 1 1319 . 1 1 124 124 LEU HB3 H 1 -0.93 0.025 . 2 . . . A 113 LEU HB3 . 19921 1 1320 . 1 1 124 124 LEU HG H 1 0.71 0.025 . 1 . . . A 113 LEU HG . 19921 1 1321 . 1 1 124 124 LEU HD11 H 1 -0.01 0.025 . 2 . . . A 113 LEU HD11 . 19921 1 1322 . 1 1 124 124 LEU HD12 H 1 -0.01 0.025 . 2 . . . A 113 LEU HD12 . 19921 1 1323 . 1 1 124 124 LEU HD13 H 1 -0.01 0.025 . 2 . . . A 113 LEU HD13 . 19921 1 1324 . 1 1 124 124 LEU HD21 H 1 -0.57 0.025 . 2 . . . A 113 LEU HD21 . 19921 1 1325 . 1 1 124 124 LEU HD22 H 1 -0.57 0.025 . 2 . . . A 113 LEU HD22 . 19921 1 1326 . 1 1 124 124 LEU HD23 H 1 -0.57 0.025 . 2 . . . A 113 LEU HD23 . 19921 1 1327 . 1 1 124 124 LEU CA C 13 53.74 0.400 . 1 . . . A 113 LEU CA . 19921 1 1328 . 1 1 124 124 LEU CB C 13 41.55 0.400 . 1 . . . A 113 LEU CB . 19921 1 1329 . 1 1 124 124 LEU CG C 13 26.6 0.400 . 1 . . . A 113 LEU CG . 19921 1 1330 . 1 1 124 124 LEU CD1 C 13 23.93 0.400 . 2 . . . A 113 LEU CD1 . 19921 1 1331 . 1 1 124 124 LEU CD2 C 13 23.98 0.400 . 2 . . . A 113 LEU CD2 . 19921 1 1332 . 1 1 124 124 LEU N N 15 122.22 0.400 . 1 . . . A 113 LEU N . 19921 1 1333 . 1 1 125 125 VAL H H 1 9.26 0.025 . 1 . . . A 114 VAL H . 19921 1 1334 . 1 1 125 125 VAL HA H 1 4.44 0.025 . 1 . . . A 114 VAL HA . 19921 1 1335 . 1 1 125 125 VAL HB H 1 1.93 0.025 . 1 . . . A 114 VAL HB . 19921 1 1336 . 1 1 125 125 VAL HG11 H 1 0.88 0.025 . 2 . . . A 114 VAL HG11 . 19921 1 1337 . 1 1 125 125 VAL HG12 H 1 0.88 0.025 . 2 . . . A 114 VAL HG12 . 19921 1 1338 . 1 1 125 125 VAL HG13 H 1 0.88 0.025 . 2 . . . A 114 VAL HG13 . 19921 1 1339 . 1 1 125 125 VAL HG21 H 1 0.74 0.025 . 2 . . . A 114 VAL HG21 . 19921 1 1340 . 1 1 125 125 VAL HG22 H 1 0.74 0.025 . 2 . . . A 114 VAL HG22 . 19921 1 1341 . 1 1 125 125 VAL HG23 H 1 0.74 0.025 . 2 . . . A 114 VAL HG23 . 19921 1 1342 . 1 1 125 125 VAL CA C 13 61.63 0.400 . 1 . . . A 114 VAL CA . 19921 1 1343 . 1 1 125 125 VAL CB C 13 32.88 0.400 . 1 . . . A 114 VAL CB . 19921 1 1344 . 1 1 125 125 VAL CG1 C 13 21.01 0.400 . 2 . . . A 114 VAL CG1 . 19921 1 1345 . 1 1 125 125 VAL CG2 C 13 20.43 0.400 . 2 . . . A 114 VAL CG2 . 19921 1 1346 . 1 1 125 125 VAL N N 15 126.87 0.400 . 1 . . . A 114 VAL N . 19921 1 1347 . 1 1 126 126 GLN H H 1 9.33 0.025 . 1 . . . A 115 GLN H . 19921 1 1348 . 1 1 126 126 GLN HA H 1 5.71 0.025 . 1 . . . A 115 GLN HA . 19921 1 1349 . 1 1 126 126 GLN HB2 H 1 1.91 0.025 . 1 . . . A 115 GLN HB2 . 19921 1 1350 . 1 1 126 126 GLN HB3 H 1 1.6 0.025 . 1 . . . A 115 GLN HB3 . 19921 1 1351 . 1 1 126 126 GLN HG2 H 1 2.18 0.025 . 1 . . . A 115 GLN HG2 . 19921 1 1352 . 1 1 126 126 GLN HG3 H 1 1.57 0.025 . 1 . . . A 115 GLN HG3 . 19921 1 1353 . 1 1 126 126 GLN HE21 H 1 6.76 0.025 . 1 . . . A 115 GLN HE21 . 19921 1 1354 . 1 1 126 126 GLN HE22 H 1 7.57 0.025 . 1 . . . A 115 GLN HE22 . 19921 1 1355 . 1 1 126 126 GLN CA C 13 52.88 0.400 . 1 . . . A 115 GLN CA . 19921 1 1356 . 1 1 126 126 GLN CB C 13 29.35 0.400 . 1 . . . A 115 GLN CB . 19921 1 1357 . 1 1 126 126 GLN CG C 13 33.51 0.400 . 1 . . . A 115 GLN CG . 19921 1 1358 . 1 1 126 126 GLN N N 15 128.73 0.400 . 1 . . . A 115 GLN N . 19921 1 1359 . 1 1 126 126 GLN NE2 N 15 107.02 0.400 . 1 . . . A 115 GLN NE2 . 19921 1 1360 . 1 1 127 127 THR H H 1 8.73 0.025 . 1 . . . A 116 THR H . 19921 1 1361 . 1 1 127 127 THR HA H 1 4.86 0.025 . 1 . . . A 116 THR HA . 19921 1 1362 . 1 1 127 127 THR HB H 1 3.83 0.025 . 1 . . . A 116 THR HB . 19921 1 1363 . 1 1 127 127 THR HG21 H 1 1.09 0.025 . 1 . . . A 116 THR HG21 . 19921 1 1364 . 1 1 127 127 THR HG22 H 1 1.09 0.025 . 1 . . . A 116 THR HG22 . 19921 1 1365 . 1 1 127 127 THR HG23 H 1 1.09 0.025 . 1 . . . A 116 THR HG23 . 19921 1 1366 . 1 1 127 127 THR CA C 13 60.64 0.400 . 1 . . . A 116 THR CA . 19921 1 1367 . 1 1 127 127 THR CB C 13 69.9 0.400 . 1 . . . A 116 THR CB . 19921 1 1368 . 1 1 127 127 THR CG2 C 13 21.47 0.400 . 1 . . . A 116 THR CG2 . 19921 1 1369 . 1 1 127 127 THR N N 15 119.28 0.400 . 1 . . . A 116 THR N . 19921 1 1370 . 1 1 128 128 TYR H H 1 9.34 0.025 . 1 . . . A 117 TYR H . 19921 1 1371 . 1 1 128 128 TYR HA H 1 5.13 0.025 . 1 . . . A 117 TYR HA . 19921 1 1372 . 1 1 128 128 TYR HB2 H 1 2.45 0.025 . 1 . . . A 117 TYR HB2 . 19921 1 1373 . 1 1 128 128 TYR HB3 H 1 1.77 0.025 . 1 . . . A 117 TYR HB3 . 19921 1 1374 . 1 1 128 128 TYR HD1 H 1 6.32 0.025 . 1 . . . A 117 TYR HD1 . 19921 1 1375 . 1 1 128 128 TYR HD2 H 1 6.32 0.025 . 1 . . . A 117 TYR HD2 . 19921 1 1376 . 1 1 128 128 TYR HE1 H 1 6.31 0.025 . 1 . . . A 117 TYR HE1 . 19921 1 1377 . 1 1 128 128 TYR HE2 H 1 6.31 0.025 . 1 . . . A 117 TYR HE2 . 19921 1 1378 . 1 1 128 128 TYR CA C 13 54.28 0.400 . 1 . . . A 117 TYR CA . 19921 1 1379 . 1 1 128 128 TYR CB C 13 42.42 0.400 . 1 . . . A 117 TYR CB . 19921 1 1380 . 1 1 128 128 TYR CD1 C 13 131.93 0.400 . 1 . . . A 117 TYR CD1 . 19921 1 1381 . 1 1 128 128 TYR CD2 C 13 131.93 0.400 . 1 . . . A 117 TYR CD2 . 19921 1 1382 . 1 1 128 128 TYR CE1 C 13 117.4 0.400 . 1 . . . A 117 TYR CE1 . 19921 1 1383 . 1 1 128 128 TYR CE2 C 13 117.42 0.400 . 1 . . . A 117 TYR CE2 . 19921 1 1384 . 1 1 128 128 TYR N N 15 125.08 0.400 . 1 . . . A 117 TYR N . 19921 1 1385 . 1 1 129 129 VAL H H 1 9.11 0.025 . 1 . . . A 118 VAL H . 19921 1 1386 . 1 1 129 129 VAL HA H 1 5.27 0.025 . 1 . . . A 118 VAL HA . 19921 1 1387 . 1 1 129 129 VAL HB H 1 1.98 0.025 . 1 . . . A 118 VAL HB . 19921 1 1388 . 1 1 129 129 VAL HG11 H 1 0.85 0.025 . 2 . . . A 118 VAL HG11 . 19921 1 1389 . 1 1 129 129 VAL HG12 H 1 0.85 0.025 . 2 . . . A 118 VAL HG12 . 19921 1 1390 . 1 1 129 129 VAL HG13 H 1 0.85 0.025 . 2 . . . A 118 VAL HG13 . 19921 1 1391 . 1 1 129 129 VAL HG21 H 1 0.79 0.025 . 2 . . . A 118 VAL HG21 . 19921 1 1392 . 1 1 129 129 VAL HG22 H 1 0.79 0.025 . 2 . . . A 118 VAL HG22 . 19921 1 1393 . 1 1 129 129 VAL HG23 H 1 0.79 0.025 . 2 . . . A 118 VAL HG23 . 19921 1 1394 . 1 1 129 129 VAL CA C 13 61.6 0.400 . 1 . . . A 118 VAL CA . 19921 1 1395 . 1 1 129 129 VAL CB C 13 34.52 0.400 . 1 . . . A 118 VAL CB . 19921 1 1396 . 1 1 129 129 VAL CG1 C 13 20.88 0.400 . 2 . . . A 118 VAL CG1 . 19921 1 1397 . 1 1 129 129 VAL CG2 C 13 20.4 0.400 . 2 . . . A 118 VAL CG2 . 19921 1 1398 . 1 1 129 129 VAL N N 15 118.87 0.400 . 1 . . . A 118 VAL N . 19921 1 1399 . 1 1 130 130 TYR H H 1 9 0.025 . 1 . . . A 119 TYR H . 19921 1 1400 . 1 1 130 130 TYR HA H 1 4.82 0.025 . 1 . . . A 119 TYR HA . 19921 1 1401 . 1 1 130 130 TYR HB2 H 1 2.98 0.025 . 1 . . . A 119 TYR HB2 . 19921 1 1402 . 1 1 130 130 TYR HB3 H 1 2.49 0.025 . 1 . . . A 119 TYR HB3 . 19921 1 1403 . 1 1 130 130 TYR HD1 H 1 6.84 0.025 . 1 . . . A 119 TYR HD1 . 19921 1 1404 . 1 1 130 130 TYR HD2 H 1 6.84 0.025 . 1 . . . A 119 TYR HD2 . 19921 1 1405 . 1 1 130 130 TYR HE1 H 1 6.46 0.025 . 1 . . . A 119 TYR HE1 . 19921 1 1406 . 1 1 130 130 TYR HE2 H 1 6.46 0.025 . 1 . . . A 119 TYR HE2 . 19921 1 1407 . 1 1 130 130 TYR CA C 13 57.64 0.400 . 1 . . . A 119 TYR CA . 19921 1 1408 . 1 1 130 130 TYR CB C 13 43.29 0.400 . 1 . . . A 119 TYR CB . 19921 1 1409 . 1 1 130 130 TYR CD1 C 13 133.31 0.400 . 1 . . . A 119 TYR CD1 . 19921 1 1410 . 1 1 130 130 TYR CD2 C 13 133.31 0.400 . 1 . . . A 119 TYR CD2 . 19921 1 1411 . 1 1 130 130 TYR CE1 C 13 117.92 0.400 . 1 . . . A 119 TYR CE1 . 19921 1 1412 . 1 1 130 130 TYR CE2 C 13 117.92 0.400 . 1 . . . A 119 TYR CE2 . 19921 1 1413 . 1 1 130 130 TYR N N 15 126.23 0.400 . 1 . . . A 119 TYR N . 19921 1 1414 . 1 1 131 131 GLU H H 1 9.49 0.025 . 1 . . . A 120 GLU H . 19921 1 1415 . 1 1 131 131 GLU HA H 1 3.33 0.025 . 1 . . . A 120 GLU HA . 19921 1 1416 . 1 1 131 131 GLU HB3 H 1 1.83 0.025 . 1 . . . A 120 GLU HB3 . 19921 1 1417 . 1 1 131 131 GLU HG2 H 1 1.35 0.025 . 1 . . . A 120 GLU HG2 . 19921 1 1418 . 1 1 131 131 GLU HG3 H 1 0.72 0.025 . 1 . . . A 120 GLU HG3 . 19921 1 1419 . 1 1 131 131 GLU CA C 13 55.59 0.400 . 1 . . . A 120 GLU CA . 19921 1 1420 . 1 1 131 131 GLU CB C 13 28.43 0.400 . 1 . . . A 120 GLU CB . 19921 1 1421 . 1 1 131 131 GLU CG C 13 34.88 0.400 . 1 . . . A 120 GLU CG . 19921 1 1422 . 1 1 131 131 GLU N N 15 124.3 0.400 . 1 . . . A 120 GLU N . 19921 1 1423 . 1 1 132 132 GLY H H 1 8.32 0.025 . 1 . . . A 121 GLY H . 19921 1 1424 . 1 1 132 132 GLY HA2 H 1 4.01 0.025 . 1 . . . A 121 GLY HA2 . 19921 1 1425 . 1 1 132 132 GLY HA3 H 1 3.47 0.025 . 1 . . . A 121 GLY HA3 . 19921 1 1426 . 1 1 132 132 GLY CA C 13 45.06 0.400 . 1 . . . A 121 GLY CA . 19921 1 1427 . 1 1 132 132 GLY N N 15 100.55 0.400 . 1 . . . A 121 GLY N . 19921 1 1428 . 1 1 133 133 VAL H H 1 8.28 0.025 . 1 . . . A 122 VAL H . 19921 1 1429 . 1 1 133 133 VAL HA H 1 4.13 0.025 . 1 . . . A 122 VAL HA . 19921 1 1430 . 1 1 133 133 VAL HB H 1 2.3 0.025 . 1 . . . A 122 VAL HB . 19921 1 1431 . 1 1 133 133 VAL HG11 H 1 0.91 0.025 . 2 . . . A 122 VAL HG11 . 19921 1 1432 . 1 1 133 133 VAL HG12 H 1 0.91 0.025 . 2 . . . A 122 VAL HG12 . 19921 1 1433 . 1 1 133 133 VAL HG13 H 1 0.91 0.025 . 2 . . . A 122 VAL HG13 . 19921 1 1434 . 1 1 133 133 VAL HG21 H 1 0.91 0.025 . 2 . . . A 122 VAL HG21 . 19921 1 1435 . 1 1 133 133 VAL HG22 H 1 0.91 0.025 . 2 . . . A 122 VAL HG22 . 19921 1 1436 . 1 1 133 133 VAL HG23 H 1 0.91 0.025 . 2 . . . A 122 VAL HG23 . 19921 1 1437 . 1 1 133 133 VAL CA C 13 62.2 0.400 . 1 . . . A 122 VAL CA . 19921 1 1438 . 1 1 133 133 VAL CB C 13 32.49 0.400 . 1 . . . A 122 VAL CB . 19921 1 1439 . 1 1 133 133 VAL CG1 C 13 21.47 0.400 . 2 . . . A 122 VAL CG1 . 19921 1 1440 . 1 1 133 133 VAL CG2 C 13 21.47 0.400 . 2 . . . A 122 VAL CG2 . 19921 1 1441 . 1 1 133 133 VAL N N 15 122.02 0.400 . 1 . . . A 122 VAL N . 19921 1 1442 . 1 1 134 134 GLU H H 1 8.58 0.025 . 1 . . . A 123 GLU H . 19921 1 1443 . 1 1 134 134 GLU HA H 1 5.67 0.025 . 1 . . . A 123 GLU HA . 19921 1 1444 . 1 1 134 134 GLU HB2 H 1 1.95 0.025 . 1 . . . A 123 GLU HB2 . 19921 1 1445 . 1 1 134 134 GLU HB3 H 1 1.89 0.025 . 1 . . . A 123 GLU HB3 . 19921 1 1446 . 1 1 134 134 GLU HG2 H 1 2.15 0.025 . 1 . . . A 123 GLU HG2 . 19921 1 1447 . 1 1 134 134 GLU HG3 H 1 1.99 0.025 . 1 . . . A 123 GLU HG3 . 19921 1 1448 . 1 1 134 134 GLU CA C 13 53.57 0.400 . 1 . . . A 123 GLU CA . 19921 1 1449 . 1 1 134 134 GLU CB C 13 32.6 0.400 . 1 . . . A 123 GLU CB . 19921 1 1450 . 1 1 134 134 GLU CG C 13 36.76 0.400 . 1 . . . A 123 GLU CG . 19921 1 1451 . 1 1 134 134 GLU N N 15 125.55 0.400 . 1 . . . A 123 GLU N . 19921 1 1452 . 1 1 135 135 ALA H H 1 9.17 0.025 . 1 . . . A 124 ALA H . 19921 1 1453 . 1 1 135 135 ALA HA H 1 5.03 0.025 . 1 . . . A 124 ALA HA . 19921 1 1454 . 1 1 135 135 ALA HB1 H 1 1.29 0.025 . 1 . . . A 124 ALA HB1 . 19921 1 1455 . 1 1 135 135 ALA HB2 H 1 1.29 0.025 . 1 . . . A 124 ALA HB2 . 19921 1 1456 . 1 1 135 135 ALA HB3 H 1 1.29 0.025 . 1 . . . A 124 ALA HB3 . 19921 1 1457 . 1 1 135 135 ALA CA C 13 50.15 0.400 . 1 . . . A 124 ALA CA . 19921 1 1458 . 1 1 135 135 ALA CB C 13 23.57 0.400 . 1 . . . A 124 ALA CB . 19921 1 1459 . 1 1 135 135 ALA N N 15 124.61 0.400 . 1 . . . A 124 ALA N . 19921 1 1460 . 1 1 136 136 LYS H H 1 8.55 0.025 . 1 . . . A 125 LYS H . 19921 1 1461 . 1 1 136 136 LYS HA H 1 5.4 0.025 . 1 . . . A 125 LYS HA . 19921 1 1462 . 1 1 136 136 LYS HB2 H 1 1.37 0.025 . 1 . . . A 125 LYS HB2 . 19921 1 1463 . 1 1 136 136 LYS HB3 H 1 1.45 0.025 . 1 . . . A 125 LYS HB3 . 19921 1 1464 . 1 1 136 136 LYS HG2 H 1 1.34 0.025 . 1 . . . A 125 LYS HG2 . 19921 1 1465 . 1 1 136 136 LYS HG3 H 1 1.2 0.025 . 1 . . . A 125 LYS HG3 . 19921 1 1466 . 1 1 136 136 LYS CA C 13 54.35 0.400 . 1 . . . A 125 LYS CA . 19921 1 1467 . 1 1 136 136 LYS CB C 13 37.64 0.400 . 1 . . . A 125 LYS CB . 19921 1 1468 . 1 1 136 136 LYS CG C 13 24.79 0.400 . 1 . . . A 125 LYS CG . 19921 1 1469 . 1 1 136 136 LYS N N 15 114.18 0.400 . 1 . . . A 125 LYS N . 19921 1 1470 . 1 1 137 137 ARG H H 1 9.05 0.025 . 1 . . . A 126 ARG H . 19921 1 1471 . 1 1 137 137 ARG HA H 1 4.68 0.025 . 1 . . . A 126 ARG HA . 19921 1 1472 . 1 1 137 137 ARG HB2 H 1 1.33 0.025 . 1 . . . A 126 ARG HB2 . 19921 1 1473 . 1 1 137 137 ARG HB3 H 1 1.44 0.025 . 1 . . . A 126 ARG HB3 . 19921 1 1474 . 1 1 137 137 ARG HG2 H 1 1.41 0.025 . 1 . . . A 126 ARG HG2 . 19921 1 1475 . 1 1 137 137 ARG HG3 H 1 1.33 0.025 . 1 . . . A 126 ARG HG3 . 19921 1 1476 . 1 1 137 137 ARG HD2 H 1 2.37 0.025 . 1 . . . A 126 ARG HD2 . 19921 1 1477 . 1 1 137 137 ARG HE H 1 6.05 0.025 . 1 . . . A 126 ARG HE . 19921 1 1478 . 1 1 137 137 ARG CA C 13 56.6 0.400 . 1 . . . A 126 ARG CA . 19921 1 1479 . 1 1 137 137 ARG CB C 13 33.4 0.400 . 1 . . . A 126 ARG CB . 19921 1 1480 . 1 1 137 137 ARG CG C 13 26.38 0.400 . 1 . . . A 126 ARG CG . 19921 1 1481 . 1 1 137 137 ARG CD C 13 43.26 0.400 . 1 . . . A 126 ARG CD . 19921 1 1482 . 1 1 137 137 ARG N N 15 117.91 0.400 . 1 . . . A 126 ARG N . 19921 1 1483 . 1 1 137 137 ARG NE N 15 81.34 0.400 . 1 . . . A 126 ARG NE . 19921 1 1484 . 1 1 138 138 ILE H H 1 8.65 0.025 . 1 . . . A 127 ILE H . 19921 1 1485 . 1 1 138 138 ILE HA H 1 4.92 0.025 . 1 . . . A 127 ILE HA . 19921 1 1486 . 1 1 138 138 ILE HB H 1 1.54 0.025 . 1 . . . A 127 ILE HB . 19921 1 1487 . 1 1 138 138 ILE HG12 H 1 1.07 0.025 . 1 . . . A 127 ILE HG12 . 19921 1 1488 . 1 1 138 138 ILE HG13 H 1 1.28 0.025 . 1 . . . A 127 ILE HG13 . 19921 1 1489 . 1 1 138 138 ILE HG21 H 1 0.83 0.025 . 1 . . . A 127 ILE HG21 . 19921 1 1490 . 1 1 138 138 ILE HG22 H 1 0.83 0.025 . 1 . . . A 127 ILE HG22 . 19921 1 1491 . 1 1 138 138 ILE HG23 H 1 0.83 0.025 . 1 . . . A 127 ILE HG23 . 19921 1 1492 . 1 1 138 138 ILE HD11 H 1 0.69 0.025 . 1 . . . A 127 ILE HD11 . 19921 1 1493 . 1 1 138 138 ILE HD12 H 1 0.69 0.025 . 1 . . . A 127 ILE HD12 . 19921 1 1494 . 1 1 138 138 ILE HD13 H 1 0.69 0.025 . 1 . . . A 127 ILE HD13 . 19921 1 1495 . 1 1 138 138 ILE CA C 13 60.96 0.400 . 1 . . . A 127 ILE CA . 19921 1 1496 . 1 1 138 138 ILE CB C 13 39.8 0.400 . 1 . . . A 127 ILE CB . 19921 1 1497 . 1 1 138 138 ILE CG1 C 13 29.49 0.400 . 1 . . . A 127 ILE CG1 . 19921 1 1498 . 1 1 138 138 ILE CG2 C 13 19.09 0.400 . 1 . . . A 127 ILE CG2 . 19921 1 1499 . 1 1 138 138 ILE CD1 C 13 14.14 0.400 . 1 . . . A 127 ILE CD1 . 19921 1 1500 . 1 1 138 138 ILE N N 15 121.4 0.400 . 1 . . . A 127 ILE N . 19921 1 1501 . 1 1 139 139 PHE H H 1 10.01 0.025 . 1 . . . A 128 PHE H . 19921 1 1502 . 1 1 139 139 PHE HA H 1 5.17 0.025 . 1 . . . A 128 PHE HA . 19921 1 1503 . 1 1 139 139 PHE HB2 H 1 3.2 0.025 . 1 . . . A 128 PHE HB2 . 19921 1 1504 . 1 1 139 139 PHE HB3 H 1 3.05 0.025 . 1 . . . A 128 PHE HB3 . 19921 1 1505 . 1 1 139 139 PHE HD1 H 1 7.07 0.025 . 1 . . . A 128 PHE HD1 . 19921 1 1506 . 1 1 139 139 PHE HD2 H 1 7.07 0.025 . 1 . . . A 128 PHE HD2 . 19921 1 1507 . 1 1 139 139 PHE CA C 13 55.61 0.400 . 1 . . . A 128 PHE CA . 19921 1 1508 . 1 1 139 139 PHE CB C 13 42.68 0.400 . 1 . . . A 128 PHE CB . 19921 1 1509 . 1 1 139 139 PHE CD1 C 13 132.1 0.400 . 1 . . . A 128 PHE CD1 . 19921 1 1510 . 1 1 139 139 PHE CD2 C 13 132.1 0.400 . 1 . . . A 128 PHE CD2 . 19921 1 1511 . 1 1 139 139 PHE N N 15 125.03 0.400 . 1 . . . A 128 PHE N . 19921 1 1512 . 1 1 140 140 LYS H H 1 8.81 0.025 . 1 . . . A 129 LYS H . 19921 1 1513 . 1 1 140 140 LYS HA H 1 5.25 0.025 . 1 . . . A 129 LYS HA . 19921 1 1514 . 1 1 140 140 LYS HB2 H 1 2.01 0.025 . 1 . . . A 129 LYS HB2 . 19921 1 1515 . 1 1 140 140 LYS HB3 H 1 1.85 0.025 . 1 . . . A 129 LYS HB3 . 19921 1 1516 . 1 1 140 140 LYS HG2 H 1 1.41 0.025 . 1 . . . A 129 LYS HG2 . 19921 1 1517 . 1 1 140 140 LYS HG3 H 1 1.65 0.025 . 1 . . . A 129 LYS HG3 . 19921 1 1518 . 1 1 140 140 LYS HD2 H 1 1.7 0.025 . 1 . . . A 129 LYS HD2 . 19921 1 1519 . 1 1 140 140 LYS HD3 H 1 1.7 0.025 . 1 . . . A 129 LYS HD3 . 19921 1 1520 . 1 1 140 140 LYS HE2 H 1 2.89 0.025 . 1 . . . A 129 LYS HE2 . 19921 1 1521 . 1 1 140 140 LYS HE3 H 1 2.95 0.025 . 1 . . . A 129 LYS HE3 . 19921 1 1522 . 1 1 140 140 LYS CA C 13 54.17 0.400 . 1 . . . A 129 LYS CA . 19921 1 1523 . 1 1 140 140 LYS CB C 13 36.4 0.400 . 1 . . . A 129 LYS CB . 19921 1 1524 . 1 1 140 140 LYS CG C 13 25.88 0.400 . 1 . . . A 129 LYS CG . 19921 1 1525 . 1 1 140 140 LYS CD C 13 29.34 0.400 . 1 . . . A 129 LYS CD . 19921 1 1526 . 1 1 140 140 LYS CE C 13 41.89 0.400 . 1 . . . A 129 LYS CE . 19921 1 1527 . 1 1 140 140 LYS N N 15 117.03 0.400 . 1 . . . A 129 LYS N . 19921 1 1528 . 1 1 141 141 LYS H H 1 9.03 0.025 . 1 . . . A 130 LYS H . 19921 1 1529 . 1 1 141 141 LYS HA H 1 4.11 0.025 . 1 . . . A 130 LYS HA . 19921 1 1530 . 1 1 141 141 LYS HB2 H 1 1.37 0.025 . 1 . . . A 130 LYS HB2 . 19921 1 1531 . 1 1 141 141 LYS HB3 H 1 1.44 0.025 . 1 . . . A 130 LYS HB3 . 19921 1 1532 . 1 1 141 141 LYS HG2 H 1 1 0.025 . 1 . . . A 130 LYS HG2 . 19921 1 1533 . 1 1 141 141 LYS HG3 H 1 0.56 0.025 . 1 . . . A 130 LYS HG3 . 19921 1 1534 . 1 1 141 141 LYS HD2 H 1 1.22 0.025 . 1 . . . A 130 LYS HD2 . 19921 1 1535 . 1 1 141 141 LYS HD3 H 1 1.32 0.025 . 1 . . . A 130 LYS HD3 . 19921 1 1536 . 1 1 141 141 LYS HE2 H 1 2.62 0.025 . 1 . . . A 130 LYS HE2 . 19921 1 1537 . 1 1 141 141 LYS HE3 H 1 2.74 0.025 . 1 . . . A 130 LYS HE3 . 19921 1 1538 . 1 1 141 141 LYS CA C 13 56.87 0.400 . 1 . . . A 130 LYS CA . 19921 1 1539 . 1 1 141 141 LYS CB C 13 32.66 0.400 . 1 . . . A 130 LYS CB . 19921 1 1540 . 1 1 141 141 LYS CG C 13 25.16 0.400 . 1 . . . A 130 LYS CG . 19921 1 1541 . 1 1 141 141 LYS CD C 13 29.25 0.400 . 1 . . . A 130 LYS CD . 19921 1 1542 . 1 1 141 141 LYS CE C 13 42.25 0.400 . 1 . . . A 130 LYS CE . 19921 1 1543 . 1 1 141 141 LYS N N 15 121.62 0.400 . 1 . . . A 130 LYS N . 19921 1 1544 . 1 1 142 142 ASP H H 1 8.11 0.025 . 1 . . . A 131 ASP H . 19921 1 1545 . 1 1 142 142 ASP HA H 1 4.43 0.025 . 1 . . . A 131 ASP HA . 19921 1 1546 . 1 1 142 142 ASP HB2 H 1 2.17 0.025 . 1 . . . A 131 ASP HB2 . 19921 1 1547 . 1 1 142 142 ASP HB3 H 1 2.31 0.025 . 1 . . . A 131 ASP HB3 . 19921 1 1548 . 1 1 142 142 ASP CA C 13 55.06 0.400 . 1 . . . A 131 ASP CA . 19921 1 1549 . 1 1 142 142 ASP CB C 13 44.26 0.400 . 1 . . . A 131 ASP CB . 19921 1 1550 . 1 1 142 142 ASP N N 15 128.11 0.400 . 1 . . . A 131 ASP N . 19921 1 stop_ save_